2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine

C15H24N2 — CID 118318364

IUPAC2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
SMILESC[C@H]1C[C@H](Nc2ccccc2N)CC(C)(C)C1
InChIInChI=1S/C15H24N2/c1-11-8-12(10-15(2,3)9-11)17-14-7-5-4-6-13(14)16/h4-7,11-12,17H,8-10,16H2,1-3H3/t11-,12-/m0/s1
InChIKeySGDOPDNDAQSWGQ-RYUDHWBXSA-N
MW232.37 g/mol
LogP3.90
Rot. Bonds2

About 2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine

2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine (PubChem CID 118318364) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
PubChem CID118318364
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
SMILESC[C@H]1C[C@H](Nc2ccccc2N)CC(C)(C)C1
InChIInChI=1S/C15H24N2/c1-11-8-12(10-15(2,3)9-11)17-14-7-5-4-6-13(14)16/h4-7,11-12,17H,8-10,16H2,1-3H3/t11-,12-/m0/s1
InChIKeySGDOPDNDAQSWGQ-RYUDHWBXSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine (CID 118318364) is 2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine is C[C@H]1C[C@H](Nc2ccccc2N)CC(C)(C)C1.
What is the InChIKey of 2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine?
The InChIKey is SGDOPDNDAQSWGQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-8-12(10-15(2,3)9-11)17-14-7-5-4-6-13(14)16/h4-7,11-12,17H,8-10,16H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of 2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine?
2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine is sourced from PubChem (CID 118318364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).