N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

C20H31N — CID 64731855

IUPACN-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1CC(C)CC(NC2CCC(C)(C)c3ccccc32)C1
InChIInChI=1S/C20H31N/c1-14-11-15(2)13-16(12-14)21-19-9-10-20(3,4)18-8-6-5-7-17(18)19/h5-8,14-16,19,21H,9-13H2,1-4H3
InChIKeyKKMQSEFMYJYGMJ-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.21
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine

N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 64731855) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID64731855
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine
SMILESCC1CC(C)CC(NC2CCC(C)(C)c3ccccc32)C1
InChIInChI=1S/C20H31N/c1-14-11-15(2)13-16(12-14)21-19-9-10-20(3,4)18-8-6-5-7-17(18)19/h5-8,14-16,19,21H,9-13H2,1-4H3
InChIKeyKKMQSEFMYJYGMJ-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine (CID 64731855) is N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is CC1CC(C)CC(NC2CCC(C)(C)c3ccccc32)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is KKMQSEFMYJYGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-14-11-15(2)13-16(12-14)21-19-9-10-20(3,4)18-8-6-5-7-17(18)19/h5-8,14-16,19,21H,9-13H2,1-4H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine?
N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 285.47 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 64731855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).