N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine

C19H29N — CID 43101467

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC(NC1CCCC(C)C1C)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H29N/c1-13-6-4-9-19(14(13)2)20-15(3)17-11-10-16-7-5-8-18(16)12-17/h10-15,19-20H,4-9H2,1-3H3
InChIKeyZCUOSTPZBQCYET-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.65
Rot. Bonds3

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine (PubChem CID 43101467) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
PubChem CID43101467
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine
SMILESCC(NC1CCCC(C)C1C)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H29N/c1-13-6-4-9-19(14(13)2)20-15(3)17-11-10-16-7-5-8-18(16)12-17/h10-15,19-20H,4-9H2,1-3H3
InChIKeyZCUOSTPZBQCYET-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 64739909
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine
CID 43094735
2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine
CID 43101166
4-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexan-1-amine
CID 43079394
N-(cyclobutylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43298255
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclopent-3-en-1-amine
CID 113262702
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]thian-4-amine
CID 43224338
(1S)-1-cyclopentyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81386200
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 63450607
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methylcyclohexyl)amino]ethanol
CID 82314783

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine (CID 43101467) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine is CC(NC1CCCC(C)C1C)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine?
The InChIKey is ZCUOSTPZBQCYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-13-6-4-9-19(14(13)2)20-15(3)17-11-10-16-7-5-8-18(16)12-17/h10-15,19-20H,4-9H2,1-3H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43101467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).