N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C16H24N2 — CID 82853541

IUPACN-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCc1ccccc1NC1CCN2CCCC12
InChIInChI=1S/C16H24N2/c1-2-6-13-7-3-4-8-14(13)17-15-10-12-18-11-5-9-16(15)18/h3-4,7-8,15-17H,2,5-6,9-12H2,1H3
InChIKeyWHAHHPSSCXIVOV-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.29
Rot. Bonds4

About N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 82853541) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID82853541
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCc1ccccc1NC1CCN2CCCC12
InChIInChI=1S/C16H24N2/c1-2-6-13-7-3-4-8-14(13)17-15-10-12-18-11-5-9-16(15)18/h3-4,7-8,15-17H,2,5-6,9-12H2,1H3
InChIKeyWHAHHPSSCXIVOV-UHFFFAOYSA-N
XLogP3.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-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-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 82853541) is N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCCc1ccccc1NC1CCN2CCCC12.
What is the InChIKey of N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is WHAHHPSSCXIVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-6-13-7-3-4-8-14(13)17-15-10-12-18-11-5-9-16(15)18/h3-4,7-8,15-17H,2,5-6,9-12H2,1H3.
What are the key properties of N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 82853541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).