N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

C20H31N — CID 82796846

IUPACN-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESC[C@@H](NC1c2ccccc2CC1(C)C)C1CCCCCC1
InChIInChI=1S/C20H31N/c1-15(16-10-6-4-5-7-11-16)21-19-18-13-9-8-12-17(18)14-20(19,2)3/h8-9,12-13,15-16,19,21H,4-7,10-11,14H2,1-3H3/t15-,19?/m1/s1
InChIKeyNMTVOCKVIZBOJA-NYRJJRHWSA-N
MW285.47 g/mol
LogP5.26
Rot. Bonds3

About N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82796846) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82796846
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESC[C@@H](NC1c2ccccc2CC1(C)C)C1CCCCCC1
InChIInChI=1S/C20H31N/c1-15(16-10-6-4-5-7-11-16)21-19-18-13-9-8-12-17(18)14-20(19,2)3/h8-9,12-13,15-16,19,21H,4-7,10-11,14H2,1-3H3/t15-,19?/m1/s1
InChIKeyNMTVOCKVIZBOJA-NYRJJRHWSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-[(1R)-1-cycloheptylethyl]-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-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82796846) is N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is C[C@@H](NC1c2ccccc2CC1(C)C)C1CCCCCC1.
What is the InChIKey of N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is NMTVOCKVIZBOJA-NYRJJRHWSA-N. The full InChI is InChI=1S/C20H31N/c1-15(16-10-6-4-5-7-11-16)21-19-18-13-9-8-12-17(18)14-20(19,2)3/h8-9,12-13,15-16,19,21H,4-7,10-11,14H2,1-3H3/t15-,19?/m1/s1.
What are the key properties of N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 285.47 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cycloheptylethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82796846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).