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

C30H76N6O4 — CID 158028824

IUPAC3-(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
SMILESCC(C)N(CCO)C(C)C.CCN(C)CCCN.CCN(CC)CCCO.CN(C)CCCO.CN(C)CCO
InChIInChI=1S/C8H19NO.C7H17NO.C6H16N2.C5H13NO.C4H11NO/c1-7(2)9(5-6-10)8(3)4;1-3-8(4-2)6-5-7-9;1-3-8(2)6-4-5-7;1-6(2)4-3-5-7;1-5(2)3-4-6/h7-8,10H,5-6H2,1-4H3;9H,3-7H2,1-2H3;3-7H2,1-2H3;7H,3-5H2,1-2H3;6H,3-4H2,1-2H3
InChIKeyFGXYSDXUBFORFG-UHFFFAOYSA-N
MW584.98 g/mol
LogP1.57
Rot. Bonds18

About 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

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 (PubChem CID 158028824) has the molecular formula C30H76N6O4 and a molecular weight of 584.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID158028824
Molecular FormulaC30H76N6O4
Molecular Weight584.98 g/mol
Exact Mass584.59
IUPAC Name3-(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
SMILESCC(C)N(CCO)C(C)C.CCN(C)CCCN.CCN(CC)CCCO.CN(C)CCCO.CN(C)CCO
InChIInChI=1S/C8H19NO.C7H17NO.C6H16N2.C5H13NO.C4H11NO/c1-7(2)9(5-6-10)8(3)4;1-3-8(4-2)6-5-7-9;1-3-8(2)6-4-5-7;1-6(2)4-3-5-7;1-5(2)3-4-6/h7-8,10H,5-6H2,1-4H3;9H,3-7H2,1-2H3;3-7H2,1-2H3;7H,3-5H2,1-2H3;6H,3-4H2,1-2H3
InChIKeyFGXYSDXUBFORFG-UHFFFAOYSA-N
XLogP1.57
TPSA123.14 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.98
LogP ≤ 51.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

3-(diethylamino)propan-1-ol;2-(dimethylamino)ethanol;3-(dimethylamino)propan-1-ol;2-[di(propan-2-yl)amino]ethanol
CID 174850571
N',N'-diethylbutane-1,4-diamine;N',N'-diethylethane-1,2-diamine;N',N'-dimethylethane-1,2-diamine;N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 159329709
N'-[3-[di(propan-2-yl)amino]propyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 178016346
3-[3-(diethylamino)propyl-methylamino]propan-1-ol
CID 12721796
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
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
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
3-(dimethylamino)propan-1-ol;ethane
CID 142056104
3-[ethyl(methyl)amino]propan-1-ol;4-fluorobutan-1-amine;4-fluorobutan-1-ol;2-fluoroethanamine;2-fluoroethanol;N'-(fluoromethyl)-N'-methylpropane-1,3-diamine;3-fluoropropan-1-amine;3-fluoropropan-1-ol
CID 159449139
2-[di(propan-2-yl)amino]ethanol;methane
CID 145105271
2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol
CID 171562694
N,N-diethyldodecan-1-amine;N,N-dihydroxydodecan-1-amine;N,N-dimethyldodecan-1-amine;N,N-dimethylhexadecan-1-amine;tetradecan-1-amine
CID 173438925

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N(CCO)C(C)C.CCN(C)CCCN.CCN(CC)CCCO.CN(C)CCCO.CN(C)CCO.
What is the InChIKey of 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?
The InChIKey is FGXYSDXUBFORFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO.C7H17NO.C6H16N2.C5H13NO.C4H11NO/c1-7(2)9(5-6-10)8(3)4;1-3-8(4-2)6-5-7-9;1-3-8(2)6-4-5-7;1-6(2)4-3-5-7;1-5(2)3-4-6/h7-8,10H,5-6H2,1-4H3;9H,3-7H2,1-2H3;3-7H2,1-2H3;7H,3-5H2,1-2H3;6H,3-4H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 584.98 g/mol, XLogP of 1.57, 18 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158028824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).