2-octyldecane-1,2-diamine

C18H40N2 — CID 88831195

IUPAC2-octyldecane-1,2-diamine
SMILESCCCCCCCCC(N)(CN)CCCCCCCC
InChIInChI=1S/C18H40N2/c1-3-5-7-9-11-13-15-18(20,17-19)16-14-12-10-8-6-4-2/h3-17,19-20H2,1-2H3
InChIKeyFCSQDGXNBDKMGS-UHFFFAOYSA-N
MW284.53 g/mol
LogP5.14
Rot. Bonds15

About 2-octyldecane-1,2-diamine

2-octyldecane-1,2-diamine (PubChem CID 88831195) has the molecular formula C18H40N2 and a molecular weight of 284.53 g/mol. Its IUPAC name is 2-octyldecane-1,2-diamine.

Molecular Properties

Compound Name2-octyldecane-1,2-diamine
PubChem CID88831195
Molecular FormulaC18H40N2
Molecular Weight284.53 g/mol
Exact Mass284.32
IUPAC Name2-octyldecane-1,2-diamine
SMILESCCCCCCCCC(N)(CN)CCCCCCCC
InChIInChI=1S/C18H40N2/c1-3-5-7-9-11-13-15-18(20,17-19)16-14-12-10-8-6-4-2/h3-17,19-20H2,1-2H3
InChIKeyFCSQDGXNBDKMGS-UHFFFAOYSA-N
XLogP5.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 55.14
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

11-decylhenicosan-11-amine
CID 19847882
4-pentadecylheptane-1,4,7-triamine
CID 156536321
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
5-butylhexadecan-5-amine
CID 22244897
12-undecyltricosan-12-amine;hydrate
CID 173445536
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
3-ethylnonadecan-3-amine
CID 19028625
4-propylundecan-4-amine
CID 166728969
4-propylpentadecan-4-amine
CID 22244918

Frequently Asked Questions

What is the IUPAC name of 2-octyldecane-1,2-diamine?
The IUPAC name of 2-octyldecane-1,2-diamine (CID 88831195) is 2-octyldecane-1,2-diamine.
What is the SMILES notation for 2-octyldecane-1,2-diamine?
The canonical SMILES for 2-octyldecane-1,2-diamine is CCCCCCCCC(N)(CN)CCCCCCCC.
What is the InChIKey of 2-octyldecane-1,2-diamine?
The InChIKey is FCSQDGXNBDKMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2/c1-3-5-7-9-11-13-15-18(20,17-19)16-14-12-10-8-6-4-2/h3-17,19-20H2,1-2H3.
What are the key properties of 2-octyldecane-1,2-diamine?
2-octyldecane-1,2-diamine has a molecular weight of 284.53 g/mol, XLogP of 5.14, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyldecane-1,2-diamine is sourced from PubChem (CID 88831195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).