3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine

C16H36N2 — CID 107815689

IUPAC3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine
SMILESCC(C)CCCCCCNCCCC(C)CCN
InChIInChI=1S/C16H36N2/c1-15(2)9-6-4-5-7-13-18-14-8-10-16(3)11-12-17/h15-16,18H,4-14,17H2,1-3H3
InChIKeyIKRLXJBNNKKJJV-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.95
Rot. Bonds13

About 3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine

3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine (PubChem CID 107815689) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine.

Molecular Properties

Compound Name3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine
PubChem CID107815689
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine
SMILESCC(C)CCCCCCNCCCC(C)CCN
InChIInChI=1S/C16H36N2/c1-15(2)9-6-4-5-7-13-18-14-8-10-16(3)11-12-17/h15-16,18H,4-14,17H2,1-3H3
InChIKeyIKRLXJBNNKKJJV-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3,11-dimethyldodecan-1-amine
CID 118054380
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N'-(3-aminopropyl)-4-methyloctane-1,8-diamine
CID 23599731
N'-(7-methyloctyl)-3-propylhexane-1,6-diamine
CID 107815793
(3R)-3,7-dimethyloctan-1-amine
CID 92974894
3-methyl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520404
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
ethane;6-methyl-N-propylheptan-1-amine
CID 144802351
6-(7-methyloctylamino)hexan-1-ol
CID 107814970

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine?
The IUPAC name of 3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine (CID 107815689) is 3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine.
What is the SMILES notation for 3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine?
The canonical SMILES for 3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine is CC(C)CCCCCCNCCCC(C)CCN.
What is the InChIKey of 3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine?
The InChIKey is IKRLXJBNNKKJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-15(2)9-6-4-5-7-13-18-14-8-10-16(3)11-12-17/h15-16,18H,4-14,17H2,1-3H3.
What are the key properties of 3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine?
3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.95, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-(7-methyloctyl)hexane-1,6-diamine is sourced from PubChem (CID 107815689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).