(2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol

C15H27NO — CID 99619854

IUPAC(2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol
SMILESC[C@@H](CO)N[C@@H]1CCCC[C@H]1C1=CCCCC1
InChIInChI=1S/C15H27NO/c1-12(11-17)16-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h7,12,14-17H,2-6,8-11H2,1H3/t12-,14-,15+/m0/s1
InChIKeyDWZCEGNIGTVBDP-AEGPPILISA-N
MW237.39 g/mol
LogP3.02
Rot. Bonds4

About (2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol

(2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol (PubChem CID 99619854) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol
PubChem CID99619854
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol
SMILESC[C@@H](CO)N[C@@H]1CCCC[C@H]1C1=CCCCC1
InChIInChI=1S/C15H27NO/c1-12(11-17)16-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h7,12,14-17H,2-6,8-11H2,1H3/t12-,14-,15+/m0/s1
InChIKeyDWZCEGNIGTVBDP-AEGPPILISA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-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 (2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol (CID 99619854) is (2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol is C[C@@H](CO)N[C@@H]1CCCC[C@H]1C1=CCCCC1.
What is the InChIKey of (2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol?
The InChIKey is DWZCEGNIGTVBDP-AEGPPILISA-N. The full InChI is InChI=1S/C15H27NO/c1-12(11-17)16-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h7,12,14-17H,2-6,8-11H2,1H3/t12-,14-,15+/m0/s1.
What are the key properties of (2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol?
(2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol has a molecular weight of 237.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R,2S)-2-(cyclohexen-1-yl)cyclohexyl]amino]propan-1-ol is sourced from PubChem (CID 99619854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).