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

C12H24N2 — CID 43752121

IUPACN-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCCCNC1CCN2CCCC12
InChIInChI=1S/C12H24N2/c1-2-3-4-8-13-11-7-10-14-9-5-6-12(11)14/h11-13H,2-10H2,1H3
InChIKeyLSWLZWBKUYOYIQ-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds5

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

N-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 43752121) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID43752121
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCCCNC1CCN2CCCC12
InChIInChI=1S/C12H24N2/c1-2-3-4-8-13-11-7-10-14-9-5-6-12(11)14/h11-13H,2-10H2,1H3
InChIKeyLSWLZWBKUYOYIQ-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 43752121) is N-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCCCCNC1CCN2CCCC12.
What is the InChIKey of N-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is LSWLZWBKUYOYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-3-4-8-13-11-7-10-14-9-5-6-12(11)14/h11-13H,2-10H2,1H3.
What are the key properties of N-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 43752121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).