N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine

C11H18N2 — CID 79508262

IUPACN-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESC1=CCC(CNC2=NCCC2)CC1
InChIInChI=1S/C11H18N2/c1-2-5-10(6-3-1)9-13-11-7-4-8-12-11/h1-2,10H,3-9H2,(H,12,13)
InChIKeyGVCLCPODAHMXRU-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.12
Rot. Bonds2

About N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 79508262) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID79508262
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESC1=CCC(CNC2=NCCC2)CC1
InChIInChI=1S/C11H18N2/c1-2-5-10(6-3-1)9-13-11-7-4-8-12-11/h1-2,10H,3-9H2,(H,12,13)
InChIKeyGVCLCPODAHMXRU-UHFFFAOYSA-N
XLogP2.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-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)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 79508262) is N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine is C1=CCC(CNC2=NCCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is GVCLCPODAHMXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-5-10(6-3-1)9-13-11-7-4-8-12-11/h1-2,10H,3-9H2,(H,12,13).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(cyclohex-3-en-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 178.28 g/mol, XLogP of 2.12, 2 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)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 79508262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).