N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine

C17H26F2N2 — CID 106528739

IUPACN-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C1CCCC1)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C17H26F2N2/c1-12(2)11-21(16-5-3-4-6-16)17(10-20)13-7-14(18)9-15(19)8-13/h7-9,12,16-17H,3-6,10-11,20H2,1-2H3
InChIKeyGRPDVMLFCUBRIZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.87
Rot. Bonds6

About N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine

N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 106528739) has the molecular formula C17H26F2N2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID106528739
Molecular FormulaC17H26F2N2
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C1CCCC1)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C17H26F2N2/c1-12(2)11-21(16-5-3-4-6-16)17(10-20)13-7-14(18)9-15(19)8-13/h7-9,12,16-17H,3-6,10-11,20H2,1-2H3
InChIKeyGRPDVMLFCUBRIZ-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(3,5-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55001719
1-(3-chloro-5-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 114453222
1-(3-chloro-5-fluorophenyl)-N-cyclopropyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 114453344
N-cyclopropyl-1-(3,4-dimethylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002447
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 106528596
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 79984037
N-cyclopentyl-N-(2-methylpropyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571958
1-(4-bromo-5-methylthiophen-2-yl)-N-cyclopentyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 102839739
1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002058
N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 106528593
N-butyl-1-(3-chloro-5-fluorophenyl)-N-cyclopropylethane-1,2-diamine
CID 114453317
N-cyclopropyl-1-(3,5-difluorophenyl)-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 106528560

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 106528739) is N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(C1CCCC1)C(CN)c1cc(F)cc(F)c1.
What is the InChIKey of N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is GRPDVMLFCUBRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2/c1-12(2)11-21(16-5-3-4-6-16)17(10-20)13-7-14(18)9-15(19)8-13/h7-9,12,16-17H,3-6,10-11,20H2,1-2H3.
What are the key properties of N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine?
N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 296.41 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(3,5-difluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 106528739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).