(2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol

C10H19NO — CID 130686197

IUPAC(2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol
SMILESCC1=CCC(N[C@@H](C)CO)CC1
InChIInChI=1S/C10H19NO/c1-8-3-5-10(6-4-8)11-9(2)7-12/h3,9-12H,4-7H2,1-2H3/t9-,10?/m0/s1
InChIKeyDXTXAPZIWLPMNO-RGURZIINSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds3

About (2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol

(2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol (PubChem CID 130686197) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol
PubChem CID130686197
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol
SMILESCC1=CCC(N[C@@H](C)CO)CC1
InChIInChI=1S/C10H19NO/c1-8-3-5-10(6-4-8)11-9(2)7-12/h3,9-12H,4-7H2,1-2H3/t9-,10?/m0/s1
InChIKeyDXTXAPZIWLPMNO-RGURZIINSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-[(4-methylcyclohex-3-en-1-yl)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-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol (CID 130686197) is (2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol is CC1=CCC(N[C@@H](C)CO)CC1.
What is the InChIKey of (2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol?
The InChIKey is DXTXAPZIWLPMNO-RGURZIINSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-3-5-10(6-4-8)11-9(2)7-12/h3,9-12H,4-7H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol?
(2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methylcyclohex-3-en-1-yl)amino]propan-1-ol is sourced from PubChem (CID 130686197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).