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

C16H29NO2 — CID 54938609

IUPAC1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
SMILESCC1CC=CCC1COCC(O)CNC(C)C1CC1
InChIInChI=1S/C16H29NO2/c1-12-5-3-4-6-15(12)10-19-11-16(18)9-17-13(2)14-7-8-14/h3-4,12-18H,5-11H2,1-2H3
InChIKeyFWXXSHXSOBLDPI-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.35
Rot. Bonds8

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

1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol (PubChem CID 54938609) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
PubChem CID54938609
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
SMILESCC1CC=CCC1COCC(O)CNC(C)C1CC1
InChIInChI=1S/C16H29NO2/c1-12-5-3-4-6-15(12)10-19-11-16(18)9-17-13(2)14-7-8-14/h3-4,12-18H,5-11H2,1-2H3
InChIKeyFWXXSHXSOBLDPI-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]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-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol?
The IUPAC name of 1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol (CID 54938609) is 1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol.
What is the SMILES notation for 1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol?
The canonical SMILES for 1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol is CC1CC=CCC1COCC(O)CNC(C)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol?
The InChIKey is FWXXSHXSOBLDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12-5-3-4-6-15(12)10-19-11-16(18)9-17-13(2)14-7-8-14/h3-4,12-18H,5-11H2,1-2H3.
What are the key properties of 1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol?
1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol has a molecular weight of 267.41 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol is sourced from PubChem (CID 54938609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).