2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol

C16H31NO — CID 19736480

IUPAC2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol
SMILESC=CC(CC(O)C(N)CC1CCCCC1)C(C)C
InChIInChI=1S/C16H31NO/c1-4-14(12(2)3)11-16(18)15(17)10-13-8-6-5-7-9-13/h4,12-16,18H,1,5-11,17H2,2-3H3
InChIKeyLYTUMYALAILIJO-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.49
Rot. Bonds7

About 2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol

2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol (PubChem CID 19736480) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol.

Molecular Properties

Compound Name2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol
PubChem CID19736480
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol
SMILESC=CC(CC(O)C(N)CC1CCCCC1)C(C)C
InChIInChI=1S/C16H31NO/c1-4-14(12(2)3)11-16(18)15(17)10-13-8-6-5-7-9-13/h4,12-16,18H,1,5-11,17H2,2-3H3
InChIKeyLYTUMYALAILIJO-UHFFFAOYSA-N
XLogP3.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol?
The IUPAC name of 2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol (CID 19736480) is 2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol.
What is the SMILES notation for 2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol?
The canonical SMILES for 2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol is C=CC(CC(O)C(N)CC1CCCCC1)C(C)C.
What is the InChIKey of 2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol?
The InChIKey is LYTUMYALAILIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-14(12(2)3)11-16(18)15(17)10-13-8-6-5-7-9-13/h4,12-16,18H,1,5-11,17H2,2-3H3.
What are the key properties of 2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol?
2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol has a molecular weight of 253.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclohexyl-5-propan-2-ylhept-6-en-3-ol is sourced from PubChem (CID 19736480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).