2-methyloctane-1,8-diamine

C9H22N2 — CID 10877399

IUPAC2-methyloctane-1,8-diamine
SMILESCC(CN)CCCCCCN
InChIInChI=1S/C9H22N2/c1-9(8-11)6-4-2-3-5-7-10/h9H,2-8,10-11H2,1H3
InChIKeyGAGWMWLBYJPFDD-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.49
Rot. Bonds7

About 2-methyloctane-1,8-diamine

2-methyloctane-1,8-diamine (PubChem CID 10877399) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-methyloctane-1,8-diamine.

Molecular Properties

Compound Name2-methyloctane-1,8-diamine
PubChem CID10877399
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-methyloctane-1,8-diamine
SMILESCC(CN)CCCCCCN
InChIInChI=1S/C9H22N2/c1-9(8-11)6-4-2-3-5-7-10/h9H,2-8,10-11H2,1H3
InChIKeyGAGWMWLBYJPFDD-UHFFFAOYSA-N
XLogP1.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.49
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

Octodrine
CID 10982
2-Ethylhexylamine
CID 7719
1,8-Octanediamine, 4-(aminomethyl)-
CID 94211
Tridecylamine, branched and linear
CID 22833454
1,6-Hexanediamine, C,C,C-trimethyl-
CID 3033875
5-Cyclohexyl-pentylamine
CID 18790215
2,6-Dimethyl-4-heptanamine
CID 103410
Cycloheptylmethylamine
CID 78194
Cyclooctylmethylamine
CID 78473
Isononanamine
CID 119716
2-Heptanamine, 6-methyl-, hydrochloride
CID 22299
2-Propyl-1-aminopentane
CID 170419

Frequently Asked Questions

What is the IUPAC name of 2-methyloctane-1,8-diamine?
The IUPAC name of 2-methyloctane-1,8-diamine (CID 10877399) is 2-methyloctane-1,8-diamine.
What is the SMILES notation for 2-methyloctane-1,8-diamine?
The canonical SMILES for 2-methyloctane-1,8-diamine is CC(CN)CCCCCCN.
What is the InChIKey of 2-methyloctane-1,8-diamine?
The InChIKey is GAGWMWLBYJPFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-9(8-11)6-4-2-3-5-7-10/h9H,2-8,10-11H2,1H3.
What are the key properties of 2-methyloctane-1,8-diamine?
2-methyloctane-1,8-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloctane-1,8-diamine is sourced from PubChem (CID 10877399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).