benzene-1,2-diamine;decan-1-amine

C16H31N3 — CID 174921659

IUPACbenzene-1,2-diamine;decan-1-amine
SMILESCCCCCCCCCCN.Nc1ccccc1N
InChIInChI=1S/C10H23N.C6H8N2/c1-2-3-4-5-6-7-8-9-10-11;7-5-3-1-2-4-6(5)8/h2-11H2,1H3;1-4H,7-8H2
InChIKeyGMQKDQJDKBWIJV-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.94
Rot. Bonds8

About benzene-1,2-diamine;decan-1-amine

benzene-1,2-diamine;decan-1-amine (PubChem CID 174921659) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is benzene-1,2-diamine;decan-1-amine.

Molecular Properties

Compound Namebenzene-1,2-diamine;decan-1-amine
PubChem CID174921659
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Namebenzene-1,2-diamine;decan-1-amine
SMILESCCCCCCCCCCN.Nc1ccccc1N
InChIInChI=1S/C10H23N.C6H8N2/c1-2-3-4-5-6-7-8-9-10-11;7-5-3-1-2-4-6(5)8/h2-11H2,1H3;1-4H,7-8H2
InChIKeyGMQKDQJDKBWIJV-UHFFFAOYSA-N
XLogP3.94
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-diamine;N-deuteriopentan-1-amine
CID 174435241
benzene;octadecan-1-amine
CID 175562752
hexadecan-1-amine;phenol
CID 175347138
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
2-aminobenzamide;pentan-1-amine
CID 174724084
benzene-1,2-diamine;butan-1-ol;dihydrochloride
CID 174374290
dotetracontan-1-amine
CID 14550497
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
tridecan-1-amine;undecan-1-amine
CID 23045943
octan-1-amine;N-phenylaniline
CID 68728866

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diamine;decan-1-amine?
The IUPAC name of benzene-1,2-diamine;decan-1-amine (CID 174921659) is benzene-1,2-diamine;decan-1-amine.
What is the SMILES notation for benzene-1,2-diamine;decan-1-amine?
The canonical SMILES for benzene-1,2-diamine;decan-1-amine is CCCCCCCCCCN.Nc1ccccc1N.
What is the InChIKey of benzene-1,2-diamine;decan-1-amine?
The InChIKey is GMQKDQJDKBWIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N.C6H8N2/c1-2-3-4-5-6-7-8-9-10-11;7-5-3-1-2-4-6(5)8/h2-11H2,1H3;1-4H,7-8H2.
What are the key properties of benzene-1,2-diamine;decan-1-amine?
benzene-1,2-diamine;decan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diamine;decan-1-amine is sourced from PubChem (CID 174921659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).