1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine

C18H44N4 — CID 158877241

IUPAC1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine
SMILESCCCN(CCC)CC(C)(C)N.CCN(CC)CC(C)(C)N
InChIInChI=1S/C10H24N2.C8H20N2/c1-5-7-12(8-6-2)9-10(3,4)11;1-5-10(6-2)7-8(3,4)9/h5-9,11H2,1-4H3;5-7,9H2,1-4H3
InChIKeyJCOZSTLNTIYMLG-UHFFFAOYSA-N
MW316.58 g/mol
LogP2.91
Rot. Bonds10

About 1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine

1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine (PubChem CID 158877241) has the molecular formula C18H44N4 and a molecular weight of 316.58 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine
PubChem CID158877241
Molecular FormulaC18H44N4
Molecular Weight316.58 g/mol
Exact Mass316.36
IUPAC Name1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine
SMILESCCCN(CCC)CC(C)(C)N.CCN(CC)CC(C)(C)N
InChIInChI=1S/C10H24N2.C8H20N2/c1-5-7-12(8-6-2)9-10(3,4)11;1-5-10(6-2)7-8(3,4)9/h5-9,11H2,1-4H3;5-7,9H2,1-4H3
InChIKeyJCOZSTLNTIYMLG-UHFFFAOYSA-N
XLogP2.91
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine with MolForge

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Related Compounds

2-cyclopropyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 60867915
N,N-diethylpropan-1-amine;methane
CID 144711865
N,N-diethylethanamine;N,N-dipropylpropan-1-amine
CID 22257187
1-N-[2-(dimethylamino)ethyl]-2-methyl-1-N-propylbutane-1,2-diamine
CID 79811625
1-amino-3-(dipropylamino)-2-methylpropan-2-ol
CID 64819638
3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-ol
CID 62270214
N-ethyl-N,N',N'-tripropylethane-1,2-diamine
CID 88655813
1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 61265281
N'-(2,2-dimethylpropyl)-N'-propylmethanediamine
CID 163960252
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide
CID 103814926
1-[ethyl(propyl)amino]-2,3-dimethylbutan-2-ol
CID 114448900
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine (CID 158877241) is 1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine is CCCN(CCC)CC(C)(C)N.CCN(CC)CC(C)(C)N.
What is the InChIKey of 1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine?
The InChIKey is JCOZSTLNTIYMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.C8H20N2/c1-5-7-12(8-6-2)9-10(3,4)11;1-5-10(6-2)7-8(3,4)9/h5-9,11H2,1-4H3;5-7,9H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine?
1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine has a molecular weight of 316.58 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-methylpropane-1,2-diamine;2-methyl-1-N,1-N-dipropylpropane-1,2-diamine is sourced from PubChem (CID 158877241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).