N-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine

C13H25NO — CID 43183150

IUPACN-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCC1CC=CCC1
InChIInChI=1S/C13H25NO/c1-12(2)15-10-6-9-14-11-13-7-4-3-5-8-13/h3-4,12-14H,5-11H2,1-2H3
InChIKeyKDPGAABAFZAIRJ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds7

About N-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine (PubChem CID 43183150) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine
PubChem CID43183150
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCC1CC=CCC1
InChIInChI=1S/C13H25NO/c1-12(2)15-10-6-9-14-11-13-7-4-3-5-8-13/h3-4,12-14H,5-11H2,1-2H3
InChIKeyKDPGAABAFZAIRJ-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
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-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine 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-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine (CID 43183150) is N-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine?
The InChIKey is KDPGAABAFZAIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2)15-10-6-9-14-11-13-7-4-3-5-8-13/h3-4,12-14H,5-11H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 43183150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).