N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C17H32N2 — CID 65091204

IUPACN-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCC1CCCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C17H32N2/c1-2-5-14-6-3-7-15(10-9-14)18-16-11-13-19-12-4-8-17(16)19/h14-18H,2-13H2,1H3
InChIKeyFJBSEWMOMAZIOL-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.56
Rot. Bonds4

About N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 65091204) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID65091204
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESCCCC1CCCC(NC2CCN3CCCC23)CC1
InChIInChI=1S/C17H32N2/c1-2-5-14-6-3-7-15(10-9-14)18-16-11-13-19-12-4-8-17(16)19/h14-18H,2-13H2,1H3
InChIKeyFJBSEWMOMAZIOL-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 65091204) is N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is CCCC1CCCC(NC2CCN3CCCC23)CC1.
What is the InChIKey of N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is FJBSEWMOMAZIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-5-14-6-3-7-15(10-9-14)18-16-11-13-19-12-4-8-17(16)19/h14-18H,2-13H2,1H3.
What are the key properties of N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 264.46 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propylcycloheptyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 65091204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).