N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

C20H31N — CID 82797825

IUPACN-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCCC(NC1c2ccccc2CC1(C)C)C1CCCCC1
InChIInChI=1S/C20H31N/c1-4-18(15-10-6-5-7-11-15)21-19-17-13-9-8-12-16(17)14-20(19,2)3/h8-9,12-13,15,18-19,21H,4-7,10-11,14H2,1-3H3
InChIKeyWDRZIVLRFFSTFS-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.26
Rot. Bonds4

About N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine

N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82797825) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82797825
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCCC(NC1c2ccccc2CC1(C)C)C1CCCCC1
InChIInChI=1S/C20H31N/c1-4-18(15-10-6-5-7-11-15)21-19-17-13-9-8-12-16(17)14-20(19,2)3/h8-9,12-13,15,18-19,21H,4-7,10-11,14H2,1-3H3
InChIKeyWDRZIVLRFFSTFS-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82797825) is N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is CCC(NC1c2ccccc2CC1(C)C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is WDRZIVLRFFSTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-4-18(15-10-6-5-7-11-15)21-19-17-13-9-8-12-16(17)14-20(19,2)3/h8-9,12-13,15,18-19,21H,4-7,10-11,14H2,1-3H3.
What are the key properties of N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 285.47 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82797825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).