N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine

C12H23F3N2 — CID 113326351

IUPACN'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
SMILESCN(CCNCCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H23F3N2/c1-17(11-5-2-3-6-11)10-9-16-8-4-7-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyKGLRPRBPESMNHG-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.79
Rot. Bonds7

About N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine

N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine (PubChem CID 113326351) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
PubChem CID113326351
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC NameN'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
SMILESCN(CCNCCCC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H23F3N2/c1-17(11-5-2-3-6-11)10-9-16-8-4-7-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyKGLRPRBPESMNHG-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)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

N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513573
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
N'-cyclohexyl-N'-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 61490482
6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile
CID 106709324
N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 63318245
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607501
N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115518829
N-methyl-N-(4,4,4-trifluorobutyl)piperidin-4-amine
CID 115514843
3-[2-[cyclopentyl(methyl)amino]ethylamino]propanoic acid
CID 63317939
N'-cyclopentyl-N-(2,2-difluoro-2-phenylethyl)-N'-methylethane-1,2-diamine
CID 116789072
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine (CID 113326351) is N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine is CN(CCNCCCC(F)(F)F)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine?
The InChIKey is KGLRPRBPESMNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-17(11-5-2-3-6-11)10-9-16-8-4-7-12(13,14)15/h11,16H,2-10H2,1H3.
What are the key properties of N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine?
N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine is sourced from PubChem (CID 113326351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).