3-N-cyclohexylbenzene-1,2,3-triamine

C12H19N3 — CID 14942290

IUPAC3-N-cyclohexylbenzene-1,2,3-triamine
SMILESNc1cccc(NC2CCCCC2)c1N
InChIInChI=1S/C12H19N3/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6,13-14H2
InChIKeyHLTWODISVVPVTL-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.60
Rot. Bonds2

About 3-N-cyclohexylbenzene-1,2,3-triamine

3-N-cyclohexylbenzene-1,2,3-triamine (PubChem CID 14942290) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-N-cyclohexylbenzene-1,2,3-triamine.

Molecular Properties

Compound Name3-N-cyclohexylbenzene-1,2,3-triamine
PubChem CID14942290
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-N-cyclohexylbenzene-1,2,3-triamine
SMILESNc1cccc(NC2CCCCC2)c1N
InChIInChI=1S/C12H19N3/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6,13-14H2
InChIKeyHLTWODISVVPVTL-UHFFFAOYSA-N
XLogP2.60
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-cyclopentyl-3-fluorobenzene-1,2-diamine
CID 60783191
2-amino-3-(cyclohexylamino)benzenesulfonamide
CID 112674592
3-N-cyclohexylpyridine-2,3-diamine
CID 59587824
2-N-cyclooctyl-3-methylbenzene-1,2-diamine
CID 115549944
N-cyclopentyl-2-iodoaniline;2-iodoaniline
CID 159046198
methyl 2-amino-3-(cyclooctylamino)benzoate
CID 115544352
3-chloro-N-cyclohexyl-2-methylaniline
CID 29276475
N-cyclohexyl-2-cyclooctylaniline
CID 155278581
3-chloro-N-cyclohexyl-2-fluoroaniline
CID 28968819
4-chloro-2-N-cyclooctylbenzene-1,2-diamine
CID 115468486
3-N-cyclooctyl-4-methylbenzene-1,3-diamine
CID 62590310
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclohexylbenzene-1,2,3-triamine?
The IUPAC name of 3-N-cyclohexylbenzene-1,2,3-triamine (CID 14942290) is 3-N-cyclohexylbenzene-1,2,3-triamine.
What is the SMILES notation for 3-N-cyclohexylbenzene-1,2,3-triamine?
The canonical SMILES for 3-N-cyclohexylbenzene-1,2,3-triamine is Nc1cccc(NC2CCCCC2)c1N.
What is the InChIKey of 3-N-cyclohexylbenzene-1,2,3-triamine?
The InChIKey is HLTWODISVVPVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h4,7-9,15H,1-3,5-6,13-14H2.
What are the key properties of 3-N-cyclohexylbenzene-1,2,3-triamine?
3-N-cyclohexylbenzene-1,2,3-triamine has a molecular weight of 205.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexylbenzene-1,2,3-triamine is sourced from PubChem (CID 14942290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).