N-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine

C11H18F2N4 — CID 114223919

IUPACN-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine
SMILESFC1(F)CCC(CNCCCn2ccnn2)C1
InChIInChI=1S/C11H18F2N4/c12-11(13)3-2-10(8-11)9-14-4-1-6-17-7-5-15-16-17/h5,7,10,14H,1-4,6,8-9H2
InChIKeyDASARXYNIVJNHJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.69
Rot. Bonds6

About N-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine

N-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine (PubChem CID 114223919) has the molecular formula C11H18F2N4 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine
PubChem CID114223919
Molecular FormulaC11H18F2N4
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC NameN-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine
SMILESFC1(F)CCC(CNCCCn2ccnn2)C1
InChIInChI=1S/C11H18F2N4/c12-11(13)3-2-10(8-11)9-14-4-1-6-17-7-5-15-16-17/h5,7,10,14H,1-4,6,8-9H2
InChIKeyDASARXYNIVJNHJ-UHFFFAOYSA-N
XLogP1.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-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-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine?
The IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine (CID 114223919) is N-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine.
What is the SMILES notation for N-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine?
The canonical SMILES for N-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine is FC1(F)CCC(CNCCCn2ccnn2)C1.
What is the InChIKey of N-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine?
The InChIKey is DASARXYNIVJNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4/c12-11(13)3-2-10(8-11)9-14-4-1-6-17-7-5-15-16-17/h5,7,10,14H,1-4,6,8-9H2.
What are the key properties of N-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine?
N-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine has a molecular weight of 244.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclopentyl)methyl]-3-(triazol-1-yl)propan-1-amine is sourced from PubChem (CID 114223919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).