N-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C13H26N2 — CID 43752183

IUPACN-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCCCCNC1CCN2CCCC12
InChIInChI=1S/C13H26N2/c1-2-3-4-5-9-14-12-8-11-15-10-6-7-13(12)15/h12-14H,2-11H2,1H3
InChIKeyKAYKBONDPHRVKL-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.39
Rot. Bonds6

About N-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43752183) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43752183
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCCCCNC1CCN2CCCC12
InChIInChI=1S/C13H26N2/c1-2-3-4-5-9-14-12-8-11-15-10-6-7-13(12)15/h12-14H,2-11H2,1H3
InChIKeyKAYKBONDPHRVKL-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hexyl-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-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43752183) is N-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCCCCCNC1CCN2CCCC12.
What is the InChIKey of N-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is KAYKBONDPHRVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-3-4-5-9-14-12-8-11-15-10-6-7-13(12)15/h12-14H,2-11H2,1H3.
What are the key properties of N-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43752183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).