N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

C22H30FN3 — CID 46967251

IUPACN'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccnc1)CC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C22H30FN3/c1-25(2)14-15-26(17-19-6-5-13-24-16-19)18-22(11-3-4-12-22)20-7-9-21(23)10-8-20/h5-10,13,16H,3-4,11-12,14-15,17-18H2,1-2H3
InChIKeyFCPZCUQZWDDXOZ-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.10
Rot. Bonds8

About N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 46967251) has the molecular formula C22H30FN3 and a molecular weight of 355.50 g/mol. Its IUPAC name is N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID46967251
Molecular FormulaC22H30FN3
Molecular Weight355.50 g/mol
Exact Mass355.24
IUPAC NameN'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccnc1)CC1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C22H30FN3/c1-25(2)14-15-26(17-19-6-5-13-24-16-19)18-22(11-3-4-12-22)20-7-9-21(23)10-8-20/h5-10,13,16H,3-4,11-12,14-15,17-18H2,1-2H3
InChIKeyFCPZCUQZWDDXOZ-UHFFFAOYSA-N
XLogP4.10
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine 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

1-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677725
N'-[(1-cyclohexylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 46961456
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43817991
3-[(4-fluorophenyl)methyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82327660
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
N'-[2-(4-chlorophenyl)-2-methylpropyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 46967252
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 51155660
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
1-(4-fluorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62051227
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
N-[(2-methoxyphenyl)methyl]-N-[[(3R)-3-phenyloxolan-3-yl]methyl]-1-pyridin-3-ylmethanamine
CID 95046279
3-[[1-(bromomethyl)cyclopropyl]methyl-(pyridin-3-ylmethyl)amino]propanenitrile
CID 65013487

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 46967251) is N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is CN(C)CCN(Cc1cccnc1)CC1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is FCPZCUQZWDDXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3/c1-25(2)14-15-26(17-19-6-5-13-24-16-19)18-22(11-3-4-12-22)20-7-9-21(23)10-8-20/h5-10,13,16H,3-4,11-12,14-15,17-18H2,1-2H3.
What are the key properties of N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 355.50 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(4-fluorophenyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 46967251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).