1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane

C19H32ClN — CID 142145945

IUPAC1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane
SMILESCC.CNC(CC(C)C)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H26ClN.C2H6/c1-13(2)12-16(19-3)17(10-4-5-11-17)14-6-8-15(18)9-7-14;1-2/h6-9,13,16,19H,4-5,10-12H2,1-3H3;1-2H3
InChIKeyNOEHSDIELVUGBR-UHFFFAOYSA-N
MW309.93 g/mol
LogP5.81
Rot. Bonds5

About 1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane

1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane (PubChem CID 142145945) has the molecular formula C19H32ClN and a molecular weight of 309.93 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane
PubChem CID142145945
Molecular FormulaC19H32ClN
Molecular Weight309.93 g/mol
Exact Mass309.22
IUPAC Name1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane
SMILESCC.CNC(CC(C)C)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H26ClN.C2H6/c1-13(2)12-16(19-3)17(10-4-5-11-17)14-6-8-15(18)9-7-14;1-2/h6-9,13,16,19H,4-5,10-12H2,1-3H3;1-2H3
InChIKeyNOEHSDIELVUGBR-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.93
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane (CID 142145945) is 1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane is CC.CNC(CC(C)C)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane?
The InChIKey is NOEHSDIELVUGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN.C2H6/c1-13(2)12-16(19-3)17(10-4-5-11-17)14-6-8-15(18)9-7-14;1-2/h6-9,13,16,19H,4-5,10-12H2,1-3H3;1-2H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane?
1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane has a molecular weight of 309.93 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclopentyl]-N,3-dimethylbutan-1-amine;ethane is sourced from PubChem (CID 142145945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).