2-(4-aminoanilino)cyclohexan-1-ol

C12H18N2O — CID 62358477

IUPAC2-(4-aminoanilino)cyclohexan-1-ol
SMILESNc1ccc(NC2CCCCC2O)cc1
InChIInChI=1S/C12H18N2O/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15/h5-8,11-12,14-15H,1-4,13H2
InChIKeyBCXGHGYEOYKWKI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.98
Rot. Bonds2

About 2-(4-aminoanilino)cyclohexan-1-ol

2-(4-aminoanilino)cyclohexan-1-ol (PubChem CID 62358477) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(4-aminoanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-aminoanilino)cyclohexan-1-ol
PubChem CID62358477
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(4-aminoanilino)cyclohexan-1-ol
SMILESNc1ccc(NC2CCCCC2O)cc1
InChIInChI=1S/C12H18N2O/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15/h5-8,11-12,14-15H,1-4,13H2
InChIKeyBCXGHGYEOYKWKI-UHFFFAOYSA-N
XLogP1.98
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoanilino)cyclohexan-1-ol?
The IUPAC name of 2-(4-aminoanilino)cyclohexan-1-ol (CID 62358477) is 2-(4-aminoanilino)cyclohexan-1-ol.
What is the SMILES notation for 2-(4-aminoanilino)cyclohexan-1-ol?
The canonical SMILES for 2-(4-aminoanilino)cyclohexan-1-ol is Nc1ccc(NC2CCCCC2O)cc1.
What is the InChIKey of 2-(4-aminoanilino)cyclohexan-1-ol?
The InChIKey is BCXGHGYEOYKWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15/h5-8,11-12,14-15H,1-4,13H2.
What are the key properties of 2-(4-aminoanilino)cyclohexan-1-ol?
2-(4-aminoanilino)cyclohexan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoanilino)cyclohexan-1-ol is sourced from PubChem (CID 62358477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).