N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine

C11H22FN3 — CID 105469151

IUPACN-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine
SMILESFC1(CNC2CCNC2)CCCNCC1
InChIInChI=1S/C11H22FN3/c12-11(3-1-5-13-7-4-11)9-15-10-2-6-14-8-10/h10,13-15H,1-9H2
InChIKeyITRPHLCNCOAGCY-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.42
Rot. Bonds3

About N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine

N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 105469151) has the molecular formula C11H22FN3 and a molecular weight of 215.32 g/mol. Its IUPAC name is N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine
PubChem CID105469151
Molecular FormulaC11H22FN3
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC NameN-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine
SMILESFC1(CNC2CCNC2)CCCNCC1
InChIInChI=1S/C11H22FN3/c12-11(3-1-5-13-7-4-11)9-15-10-2-6-14-8-10/h10,13-15H,1-9H2
InChIKeyITRPHLCNCOAGCY-UHFFFAOYSA-N
XLogP0.42
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluoropiperidin-4-yl)methyl]piperidin-3-amine
CID 105469153
N-[(3-fluoropiperidin-3-yl)methyl]-1-methylpyrrolidin-3-amine
CID 105469159
N-[(3-amino-1-fluorocyclopentyl)methyl]piperidin-4-amine
CID 105469167
N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrolidin-3-amine
CID 83107682
N-[(1-fluorocyclopropyl)methyl]cyclopropanamine
CID 126994044
2-[1-[(piperidin-3-ylamino)methyl]cyclopropyl]ethanol
CID 114756019
N-[(1-fluorocyclobutyl)methyl]-4-methylcyclohexan-1-amine
CID 130725463
(3R)-N-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 141191346
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 130637858
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130637857
N-(cyclopropylmethyl)pyrrolidin-3-amine
CID 53350336
3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol
CID 105452360

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine (CID 105469151) is N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine is FC1(CNC2CCNC2)CCCNCC1.
What is the InChIKey of N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is ITRPHLCNCOAGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN3/c12-11(3-1-5-13-7-4-11)9-15-10-2-6-14-8-10/h10,13-15H,1-9H2.
What are the key properties of N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine?
N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 215.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoroazepan-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 105469151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).