2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine

C10H21F2N5 — CID 170129958

IUPAC2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine
SMILESNCC(F)(F)CCN[C@H]1CC[C@H](N=C(N)N)C1
InChIInChI=1S/C10H21F2N5/c11-10(12,6-13)3-4-16-7-1-2-8(5-7)17-9(14)15/h7-8,16H,1-6,13H2,(H4,14,15,17)/t7-,8-/m0/s1
InChIKeyUCFJSSTYCIGWGC-YUMQZZPRSA-N
MW249.31 g/mol
LogP-0.25
Rot. Bonds6

About 2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine

2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine (PubChem CID 170129958) has the molecular formula C10H21F2N5 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine.

Molecular Properties

Compound Name2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine
PubChem CID170129958
Molecular FormulaC10H21F2N5
Molecular Weight249.31 g/mol
Exact Mass249.18
IUPAC Name2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine
SMILESNCC(F)(F)CCN[C@H]1CC[C@H](N=C(N)N)C1
InChIInChI=1S/C10H21F2N5/c11-10(12,6-13)3-4-16-7-1-2-8(5-7)17-9(14)15/h7-8,16H,1-6,13H2,(H4,14,15,17)/t7-,8-/m0/s1
InChIKeyUCFJSSTYCIGWGC-YUMQZZPRSA-N
XLogP-0.25
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine 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 2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine?
The IUPAC name of 2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine (CID 170129958) is 2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine.
What is the SMILES notation for 2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine?
The canonical SMILES for 2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine is NCC(F)(F)CCN[C@H]1CC[C@H](N=C(N)N)C1.
What is the InChIKey of 2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine?
The InChIKey is UCFJSSTYCIGWGC-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H21F2N5/c11-10(12,6-13)3-4-16-7-1-2-8(5-7)17-9(14)15/h7-8,16H,1-6,13H2,(H4,14,15,17)/t7-,8-/m0/s1.
What are the key properties of 2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine?
2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine has a molecular weight of 249.31 g/mol, XLogP of -0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3S)-3-[(4-amino-3,3-difluorobutyl)amino]cyclopentyl]guanidine is sourced from PubChem (CID 170129958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).