N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine

C16H29NO — CID 62455184

IUPACN-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine
SMILESCC(CCCNC1CC1)OCC1CC=CCC1C
InChIInChI=1S/C16H29NO/c1-13-6-3-4-8-15(13)12-18-14(2)7-5-11-17-16-9-10-16/h3-4,13-17H,5-12H2,1-2H3
InChIKeySBCTYKDVEZLJEH-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.53
Rot. Bonds8

About N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine

N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine (PubChem CID 62455184) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine
PubChem CID62455184
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine
SMILESCC(CCCNC1CC1)OCC1CC=CCC1C
InChIInChI=1S/C16H29NO/c1-13-6-3-4-8-15(13)12-18-14(2)7-5-11-17-16-9-10-16/h3-4,13-17H,5-12H2,1-2H3
InChIKeySBCTYKDVEZLJEH-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine 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 N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine?
The IUPAC name of N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine (CID 62455184) is N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine?
The canonical SMILES for N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine is CC(CCCNC1CC1)OCC1CC=CCC1C.
What is the InChIKey of N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine?
The InChIKey is SBCTYKDVEZLJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13-6-3-4-8-15(13)12-18-14(2)7-5-11-17-16-9-10-16/h3-4,13-17H,5-12H2,1-2H3.
What are the key properties of N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine?
N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine has a molecular weight of 251.41 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pentyl]cyclopropanamine is sourced from PubChem (CID 62455184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).