N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine

C20H31N — CID 115532119

IUPACN-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCCC1CCCC(NC2c3ccccc3CCC2(C)C)C1
InChIInChI=1S/C20H31N/c1-4-15-8-7-10-17(14-15)21-19-18-11-6-5-9-16(18)12-13-20(19,2)3/h5-6,9,11,15,17,19,21H,4,7-8,10,12-14H2,1-3H3
InChIKeyXAPAVFCMGJFAQE-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.26
Rot. Bonds3

About N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine

N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (PubChem CID 115532119) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
PubChem CID115532119
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
SMILESCCC1CCCC(NC2c3ccccc3CCC2(C)C)C1
InChIInChI=1S/C20H31N/c1-4-15-8-7-10-17(14-15)21-19-18-11-6-5-9-16(18)12-13-20(19,2)3/h5-6,9,11,15,17,19,21H,4,7-8,10,12-14H2,1-3H3
InChIKeyXAPAVFCMGJFAQE-UHFFFAOYSA-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

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Related Compounds

N-(4-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115532012
4-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)cyclohexane-1,4-diamine
CID 115532055
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxan-4-amine
CID 103931801
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 114544136
2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]cyclopentane-1-carbonitrile
CID 115532068
3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine
CID 64742391
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114628980
N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-methyloxolan-3-amine
CID 82726246
4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125002
N-(3-ethylcyclohexyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83067007
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
2,3-dihydro-1H-inden-1-yl-(3-ethylcyclohexyl)methanamine
CID 65406297

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine (CID 115532119) is N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is CCC1CCCC(NC2c3ccccc3CCC2(C)C)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
The InChIKey is XAPAVFCMGJFAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-4-15-8-7-10-17(14-15)21-19-18-11-6-5-9-16(18)12-13-20(19,2)3/h5-6,9,11,15,17,19,21H,4,7-8,10,12-14H2,1-3H3.
What are the key properties of N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine?
N-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-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-(3-ethylcyclohexyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 115532119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).