1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol

C15H27NO2 — CID 55071332

IUPAC1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol
SMILESCC1CC=CCC1COCC(O)CNC1CC1C
InChIInChI=1S/C15H27NO2/c1-11-5-3-4-6-13(11)9-18-10-14(17)8-16-15-7-12(15)2/h3-4,11-17H,5-10H2,1-2H3
InChIKeyKAAYTHLMFWDJJK-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.96
Rot. Bonds7

About 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol

1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol (PubChem CID 55071332) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol
PubChem CID55071332
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol
SMILESCC1CC=CCC1COCC(O)CNC1CC1C
InChIInChI=1S/C15H27NO2/c1-11-5-3-4-6-13(11)9-18-10-14(17)8-16-15-7-12(15)2/h3-4,11-17H,5-10H2,1-2H3
InChIKeyKAAYTHLMFWDJJK-UHFFFAOYSA-N
XLogP1.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-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 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol?
The IUPAC name of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol (CID 55071332) is 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol?
The canonical SMILES for 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol is CC1CC=CCC1COCC(O)CNC1CC1C.
What is the InChIKey of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol?
The InChIKey is KAAYTHLMFWDJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-5-3-4-6-13(11)9-18-10-14(17)8-16-15-7-12(15)2/h3-4,11-17H,5-10H2,1-2H3.
What are the key properties of 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol?
1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol is sourced from PubChem (CID 55071332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).