N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

C19H27N — CID 82821906

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccccc2C1NCCC1=CCCCC1
InChIInChI=1S/C19H27N/c1-19(2)14-16-10-6-7-11-17(16)18(19)20-13-12-15-8-4-3-5-9-15/h6-8,10-11,18,20H,3-5,9,12-14H2,1-2H3
InChIKeyPIQVIFPYMNBLDW-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.79
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 82821906) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID82821906
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccccc2C1NCCC1=CCCCC1
InChIInChI=1S/C19H27N/c1-19(2)14-16-10-6-7-11-17(16)18(19)20-13-12-15-8-4-3-5-9-15/h6-8,10-11,18,20H,3-5,9,12-14H2,1-2H3
InChIKeyPIQVIFPYMNBLDW-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]-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

Related Compounds

2,2-dimethyl-N-(2-phenylethyl)-1,3-dihydroinden-1-amine
CID 82820863
N-(2-cyclohexylethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821544
2,2-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-dihydroinden-1-amine
CID 82814406
3-[(2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N-methylpropanamide
CID 82821829
N-[2-(cyclopenten-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106169705
N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113349085
N-[2-(cyclohexen-1-yl)ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634072
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040884
N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821151
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113450019
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106170157
2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]-1,3-dihydroinden-1-amine
CID 107417554

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 82821906) is N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccccc2C1NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is PIQVIFPYMNBLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-19(2)14-16-10-6-7-11-17(16)18(19)20-13-12-15-8-4-3-5-9-15/h6-8,10-11,18,20H,3-5,9,12-14H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82821906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).