N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C20H31N — CID 43081234

IUPACN-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)(C)C1CCCCC1NC1CCCc2ccccc21
InChIInChI=1S/C20H31N/c1-20(2,3)17-12-6-7-13-19(17)21-18-14-8-10-15-9-4-5-11-16(15)18/h4-5,9,11,17-19,21H,6-8,10,12-14H2,1-3H3
InChIKeyKSMGWPPRLRMXSW-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.26
Rot. Bonds2

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

N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 43081234) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID43081234
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)(C)C1CCCCC1NC1CCCc2ccccc21
InChIInChI=1S/C20H31N/c1-20(2,3)17-12-6-7-13-19(17)21-18-14-8-10-15-9-4-5-11-16(15)18/h4-5,9,11,17-19,21H,6-8,10,12-14H2,1-3H3
InChIKeyKSMGWPPRLRMXSW-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-(2-methylsulfanylcyclopentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113262269
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
2-(2,3-dihydro-1H-inden-1-ylamino)cyclohexan-1-ol
CID 15925776
N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223738
N-(2,4-dimethylcyclohexyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63994491
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-(2-phenylcyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63454712
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
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-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 43081234) is N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CC(C)(C)C1CCCCC1NC1CCCc2ccccc21.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KSMGWPPRLRMXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-20(2,3)17-12-6-7-13-19(17)21-18-14-8-10-15-9-4-5-11-16(15)18/h4-5,9,11,17-19,21H,6-8,10,12-14H2,1-3H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2-tert-butylcyclohexyl)-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-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 43081234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).