5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine

C17H37N3 — CID 126537911

IUPAC5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine
SMILESC=C(NC(CCCC)C(C)C)C(CCCCN)N(C)C
InChIInChI=1S/C17H37N3/c1-7-8-11-16(14(2)3)19-15(4)17(20(5)6)12-9-10-13-18/h14,16-17,19H,4,7-13,18H2,1-3,5-6H3
InChIKeyMLBKSVBRWWMYRT-UHFFFAOYSA-N
MW283.50 g/mol
LogP3.36
Rot. Bonds12

About 5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine

5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine (PubChem CID 126537911) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine.

Molecular Properties

Compound Name5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine
PubChem CID126537911
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine
SMILESC=C(NC(CCCC)C(C)C)C(CCCCN)N(C)C
InChIInChI=1S/C17H37N3/c1-7-8-11-16(14(2)3)19-15(4)17(20(5)6)12-9-10-13-18/h14,16-17,19H,4,7-13,18H2,1-3,5-6H3
InChIKeyMLBKSVBRWWMYRT-UHFFFAOYSA-N
XLogP3.36
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(1-fluoro-6,6-dimethyl-5-methylideneheptan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 132222077
3-N-tert-butyl-2-N-(1-fluoro-6,6-dimethyl-5-methylideneheptan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 134403276
N'-fluoro-N'-[2-(4-methylpent-1-en-2-ylamino)ethyl]-N-(4-methylpentyl)ethane-1,2-diamine
CID 139472312
2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine
CID 155442418
2-N,5-dimethyl-1-N-[2-[3-(methylamino)prop-1-en-2-ylamino]but-3-enyl]-1-N-(2,2,2-trifluoroethyl)hept-6-ene-1,2,6-triamine
CID 174259071
N,5-dimethyl-2-methylidene-1-propan-2-ylazepan-3-amine
CID 60074633
(3R)-N-(1-cyclopentylethyl)-2-(3,3-dimethylpiperidin-1-yl)-5-methylhex-1-en-3-amine
CID 68097662
(1S)-1-cyclohexyl-2-N-(1-cyclohexylethyl)-1-N-methylprop-2-ene-1,2-diamine
CID 68348147
N-(1-cyclohexyl-2-pyrrolidin-1-ylprop-2-enyl)but-1-en-2-amine
CID 70645889
4-N-(15-decyl-6-octadecylhexacosyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine
CID 88890385
(3S)-N,4-dimethyl-2-(2-methylpiperidin-1-yl)pent-1-en-3-amine
CID 89058642
(2S)-1-cyclohexyl-2-N-hex-1-en-2-ylpent-4-ene-2,3-diamine
CID 89065777

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine?
The IUPAC name of 5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine (CID 126537911) is 5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine.
What is the SMILES notation for 5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine?
The canonical SMILES for 5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine is C=C(NC(CCCC)C(C)C)C(CCCCN)N(C)C.
What is the InChIKey of 5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine?
The InChIKey is MLBKSVBRWWMYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-7-8-11-16(14(2)3)19-15(4)17(20(5)6)12-9-10-13-18/h14,16-17,19H,4,7-13,18H2,1-3,5-6H3.
What are the key properties of 5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine?
5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine has a molecular weight of 283.50 g/mol, XLogP of 3.36, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine is sourced from PubChem (CID 126537911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).