N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C20H31N — CID 115998636

IUPACN-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1(C)CC(NC2CCCc3ccccc32)CC(C)(C)C1
InChIInChI=1S/C20H31N/c1-19(2)12-16(13-20(3,4)14-19)21-18-11-7-9-15-8-5-6-10-17(15)18/h5-6,8,10,16,18,21H,7,9,11-14H2,1-4H3
InChIKeyLSQQCNABULWDDE-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.26
Rot. Bonds2

About N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115998636) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115998636
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1(C)CC(NC2CCCc3ccccc32)CC(C)(C)C1
InChIInChI=1S/C20H31N/c1-19(2)12-16(13-20(3,4)14-19)21-18-11-7-9-15-8-5-6-10-17(15)18/h5-6,8,10,16,18,21H,7,9,11-14H2,1-4H3
InChIKeyLSQQCNABULWDDE-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
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-(3,3,5,5-tetramethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115998919
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64731805
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-dithiepan-6-amine
CID 131929126
N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65087328
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-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43081234
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

Frequently Asked Questions

What is the IUPAC name of N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115998636) is N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC1(C)CC(NC2CCCc3ccccc32)CC(C)(C)C1.
What is the InChIKey of N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LSQQCNABULWDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-19(2)12-16(13-20(3,4)14-19)21-18-11-7-9-15-8-5-6-10-17(15)18/h5-6,8,10,16,18,21H,7,9,11-14H2,1-4H3.
What are the key properties of N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.47 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115998636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).