N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine

C38H98N8O2 — CID 162002225

IUPACN,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
SMILESC.CCCCN(C)C.CCCCN(CC)CC.CCCN(C)CCN(C)C.CN(C)CCCO.CN(C)CCN(C)C.CN(C)CCO
InChIInChI=1S/C8H20N2.C8H19N.C6H16N2.C6H15N.C5H13NO.C4H11NO.CH4/c1-5-6-10(4)8-7-9(2)3;1-4-7-8-9(5-2)6-3;1-7(2)5-6-8(3)4;1-4-5-6-7(2)3;1-6(2)4-3-5-7;1-5(2)3-4-6;/h5-8H2,1-4H3;4-8H2,1-3H3;5-6H2,1-4H3;4-6H2,1-3H3;7H,3-5H2,1-2H3;6H,3-4H2,1-2H3;1H4
InChIKeyYSJCTURLPUXGGW-UHFFFAOYSA-N
MW699.26 g/mol
LogP4.58
Rot. Bonds21

About N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine

N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine (PubChem CID 162002225) has the molecular formula C38H98N8O2 and a molecular weight of 699.26 g/mol. Its IUPAC name is N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
PubChem CID162002225
Molecular FormulaC38H98N8O2
Molecular Weight699.26 g/mol
Exact Mass698.78
IUPAC NameN,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
SMILESC.CCCCN(C)C.CCCCN(CC)CC.CCCN(C)CCN(C)C.CN(C)CCCO.CN(C)CCN(C)C.CN(C)CCO
InChIInChI=1S/C8H20N2.C8H19N.C6H16N2.C6H15N.C5H13NO.C4H11NO.CH4/c1-5-6-10(4)8-7-9(2)3;1-4-7-8-9(5-2)6-3;1-7(2)5-6-8(3)4;1-4-5-6-7(2)3;1-6(2)4-3-5-7;1-5(2)3-4-6;/h5-8H2,1-4H3;4-8H2,1-3H3;5-6H2,1-4H3;4-6H2,1-3H3;7H,3-5H2,1-2H3;6H,3-4H2,1-2H3;1H4
InChIKeyYSJCTURLPUXGGW-UHFFFAOYSA-N
XLogP4.58
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500699.26
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol
CID 171562694
3-[3-(diethylamino)propyl-methylamino]propan-1-ol
CID 12721796
3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol
CID 174850571
N-butyl-N-ethylbutan-1-amine;N-butyl-N-methylbutan-1-amine;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-dimethylbutan-1-amine;N,N-dimethyldecan-1-amine;N,N-dimethylheptan-1-amine;N,N-dimethylhexan-1-amine;N,N-dimethylnonan-1-amine;N,N-dimethyloctan-1-amine;N,N-dipropylpropan-1-amine
CID 159594250
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane
CID 161429573
3-(dimethylamino)propan-1-ol;ethane
CID 142056104
N,N-dimethylbutan-1-amine;ethane;methane
CID 142050981
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N,N-diethylbutan-1-amine;N,N-diethylpropan-1-amine
CID 160933502
propane;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
CID 144610913
3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol;N'-ethyl-N'-methylpropane-1,3-diamine
CID 158028824

Frequently Asked Questions

What is the IUPAC name of N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine (CID 162002225) is N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine is C.CCCCN(C)C.CCCCN(CC)CC.CCCN(C)CCN(C)C.CN(C)CCCO.CN(C)CCN(C)C.CN(C)CCO.
What is the InChIKey of N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine?
The InChIKey is YSJCTURLPUXGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.C8H19N.C6H16N2.C6H15N.C5H13NO.C4H11NO.CH4/c1-5-6-10(4)8-7-9(2)3;1-4-7-8-9(5-2)6-3;1-7(2)5-6-8(3)4;1-4-5-6-7(2)3;1-6(2)4-3-5-7;1-5(2)3-4-6;/h5-8H2,1-4H3;4-8H2,1-3H3;5-6H2,1-4H3;4-6H2,1-3H3;7H,3-5H2,1-2H3;6H,3-4H2,1-2H3;1H4.
What are the key properties of N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine?
N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine has a molecular weight of 699.26 g/mol, XLogP of 4.58, 21 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylbutan-1-amine;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;N,N-dimethylbutan-1-amine;methane;N,N,N',N'-tetramethylethane-1,2-diamine;N,N,N'-trimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 162002225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).