6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C19H28ClN — CID 83065362

IUPAC6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCCC1CCC(NC2c3cc(Cl)ccc3CC2(C)C)C1C
InChIInChI=1S/C19H28ClN/c1-5-13-7-9-17(12(13)2)21-18-16-10-15(20)8-6-14(16)11-19(18,3)4/h6,8,10,12-13,17-18,21H,5,7,9,11H2,1-4H3
InChIKeyHRTULWANWCFUPE-UHFFFAOYSA-N
MW305.89 g/mol
LogP5.38
Rot. Bonds3

About 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 83065362) has the molecular formula C19H28ClN and a molecular weight of 305.89 g/mol. Its IUPAC name is 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID83065362
Molecular FormulaC19H28ClN
Molecular Weight305.89 g/mol
Exact Mass305.19
IUPAC Name6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCCC1CCC(NC2c3cc(Cl)ccc3CC2(C)C)C1C
InChIInChI=1S/C19H28ClN/c1-5-13-7-9-17(12(13)2)21-18-16-10-15(20)8-6-14(16)11-19(18,3)4/h6,8,10,12-13,17-18,21H,5,7,9,11H2,1-4H3
InChIKeyHRTULWANWCFUPE-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.89
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 83065362) is 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is CCC1CCC(NC2c3cc(Cl)ccc3CC2(C)C)C1C.
What is the InChIKey of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is HRTULWANWCFUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN/c1-5-13-7-9-17(12(13)2)21-18-16-10-15(20)8-6-14(16)11-19(18,3)4/h6,8,10,12-13,17-18,21H,5,7,9,11H2,1-4H3.
What are the key properties of 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 305.89 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83065362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).