cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine

C18H22FN3 — CID 69245747

IUPACcis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine
SMILESCc1cccc(N[C@@H]2CC[C@H](NCc3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H22FN3/c1-13-3-2-4-18(21-13)22-17-10-9-16(11-17)20-12-14-5-7-15(19)8-6-14/h2-8,16-17,20H,9-12H2,1H3,(H,21,22)/t16-,17+/m0/s1
InChIKeyZMVMNBYHTSKVDR-DLBZAZTESA-N
MW299.39 g/mol
LogP3.65
Rot. Bonds5

About cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine

cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine (PubChem CID 69245747) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Namecis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine
PubChem CID69245747
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Namecis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine
SMILESCc1cccc(N[C@@H]2CC[C@H](NCc3ccc(F)cc3)C2)n1
InChIInChI=1S/C18H22FN3/c1-13-3-2-4-18(21-13)22-17-10-9-16(11-17)20-12-14-5-7-15(19)8-6-14/h2-8,16-17,20H,9-12H2,1H3,(H,21,22)/t16-,17+/m0/s1
InChIKeyZMVMNBYHTSKVDR-DLBZAZTESA-N
XLogP3.65
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine 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 cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine?
The IUPAC name of cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine (CID 69245747) is cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine.
What is the SMILES notation for cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine?
The canonical SMILES for cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine is Cc1cccc(N[C@@H]2CC[C@H](NCc3ccc(F)cc3)C2)n1.
What is the InChIKey of cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine?
The InChIKey is ZMVMNBYHTSKVDR-DLBZAZTESA-N. The full InChI is InChI=1S/C18H22FN3/c1-13-3-2-4-18(21-13)22-17-10-9-16(11-17)20-12-14-5-7-15(19)8-6-14/h2-8,16-17,20H,9-12H2,1H3,(H,21,22)/t16-,17+/m0/s1.
What are the key properties of cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine?
cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine has a molecular weight of 299.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-1-N-[(4-fluorophenyl)methyl]-3-N-(6-methyl-2-pyridinyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 69245747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).