N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine

C16H23N — CID 53408548

IUPACN-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCC1CC(NC2CCCCC2)c2ccccc21
InChIInChI=1S/C16H23N/c1-12-11-16(15-10-6-5-9-14(12)15)17-13-7-3-2-4-8-13/h5-6,9-10,12-13,16-17H,2-4,7-8,11H2,1H3
InChIKeyYQRDGPLNFVWDRQ-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.16
Rot. Bonds2

About N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine

N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 53408548) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID53408548
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCC1CC(NC2CCCCC2)c2ccccc21
InChIInChI=1S/C16H23N/c1-12-11-16(15-10-6-5-9-14(12)15)17-13-7-3-2-4-8-13/h5-6,9-10,12-13,16-17H,2-4,7-8,11H2,1H3
InChIKeyYQRDGPLNFVWDRQ-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine (CID 53408548) is N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine is CC1CC(NC2CCCCC2)c2ccccc21.
What is the InChIKey of N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YQRDGPLNFVWDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12-11-16(15-10-6-5-9-14(12)15)17-13-7-3-2-4-8-13/h5-6,9-10,12-13,16-17H,2-4,7-8,11H2,1H3.
What are the key properties of N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine?
N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 229.37 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 53408548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).