N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H27N — CID 64731805

IUPACN-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NC2CCCc3ccccc32)CC1C
InChIInChI=1S/C18H27N/c1-13-10-11-16(12-14(13)2)19-18-9-5-7-15-6-3-4-8-17(15)18/h3-4,6,8,13-14,16,18-19H,5,7,9-12H2,1-2H3
InChIKeyQUSUYWITKLSUFX-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.48
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64731805) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64731805
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC NameN-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NC2CCCc3ccccc32)CC1C
InChIInChI=1S/C18H27N/c1-13-10-11-16(12-14(13)2)19-18-9-5-7-15-6-3-4-8-17(15)18/h3-4,6,8,13-14,16,18-19H,5,7,9-12H2,1-2H3
InChIKeyQUSUYWITKLSUFX-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65087328
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115998636
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-dithiepan-6-amine
CID 131929126
N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115695313
N-(1,2,3,4-tetrahydronaphthalen-1-yl)oxolan-3-amine
CID 63331677
N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63994491
1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one
CID 64654083
N-methyliodanuidyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 166139472
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64731805) is N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CCC(NC2CCCc3ccccc32)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is QUSUYWITKLSUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-13-10-11-16(12-14(13)2)19-18-9-5-7-15-6-3-4-8-17(15)18/h3-4,6,8,13-14,16,18-19H,5,7,9-12H2,1-2H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64731805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).