2,2-bis(aminomethyl)octane-1,8-diamine

C10H26N4 — CID 174940761

IUPAC2,2-bis(aminomethyl)octane-1,8-diamine
SMILESNCCCCCCC(CN)(CN)CN
InChIInChI=1S/C10H26N4/c11-6-4-2-1-3-5-10(7-12,8-13)9-14/h1-9,11-14H2
InChIKeyLNLWSZQJCFIZMK-UHFFFAOYSA-N
MW202.35 g/mol
LogP-0.24
Rot. Bonds9

About 2,2-bis(aminomethyl)octane-1,8-diamine

2,2-bis(aminomethyl)octane-1,8-diamine (PubChem CID 174940761) has the molecular formula C10H26N4 and a molecular weight of 202.35 g/mol. Its IUPAC name is 2,2-bis(aminomethyl)octane-1,8-diamine.

Molecular Properties

Compound Name2,2-bis(aminomethyl)octane-1,8-diamine
PubChem CID174940761
Molecular FormulaC10H26N4
Molecular Weight202.35 g/mol
Exact Mass202.22
IUPAC Name2,2-bis(aminomethyl)octane-1,8-diamine
SMILESNCCCCCCC(CN)(CN)CN
InChIInChI=1S/C10H26N4/c11-6-4-2-1-3-5-10(7-12,8-13)9-14/h1-9,11-14H2
InChIKeyLNLWSZQJCFIZMK-UHFFFAOYSA-N
XLogP-0.24
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
18,18-diethylicosan-1-amine
CID 87504312
7-(5-aminopentyl)tridecane-1,7,13-triamine
CID 135263766
octatriacontane-1,38-diamine
CID 54235792
icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
18,18-dimethylnonadecan-1-amine
CID 53249240
12,12-dimethyltridecan-1-amine
CID 87103604
10,10,10-trifluorodecan-1-amine
CID 151642080
2-butyl-2-propylpentane-1,5-diamine
CID 71310126
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
4,4-dipentylnonan-1-amine
CID 88632324

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(aminomethyl)octane-1,8-diamine?
The IUPAC name of 2,2-bis(aminomethyl)octane-1,8-diamine (CID 174940761) is 2,2-bis(aminomethyl)octane-1,8-diamine.
What is the SMILES notation for 2,2-bis(aminomethyl)octane-1,8-diamine?
The canonical SMILES for 2,2-bis(aminomethyl)octane-1,8-diamine is NCCCCCCC(CN)(CN)CN.
What is the InChIKey of 2,2-bis(aminomethyl)octane-1,8-diamine?
The InChIKey is LNLWSZQJCFIZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N4/c11-6-4-2-1-3-5-10(7-12,8-13)9-14/h1-9,11-14H2.
What are the key properties of 2,2-bis(aminomethyl)octane-1,8-diamine?
2,2-bis(aminomethyl)octane-1,8-diamine has a molecular weight of 202.35 g/mol, XLogP of -0.24, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(aminomethyl)octane-1,8-diamine is sourced from PubChem (CID 174940761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).