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

C20H31N — CID 43223738

IUPACN-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)(C)C1CCCCC1NC1CCc2ccccc2C1
InChIInChI=1S/C20H31N/c1-20(2,3)18-10-6-7-11-19(18)21-17-13-12-15-8-4-5-9-16(15)14-17/h4-5,8-9,17-19,21H,6-7,10-14H2,1-3H3
InChIKeyNXKBDBIFDIXMLH-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.74
Rot. Bonds2

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

N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 43223738) 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-2-amine.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID43223738
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(C)(C)C1CCCCC1NC1CCc2ccccc2C1
InChIInChI=1S/C20H31N/c1-20(2,3)18-10-6-7-11-19(18)21-17-13-12-15-8-4-5-9-16(15)14-17/h4-5,8-9,17-19,21H,6-7,10-14H2,1-3H3
InChIKeyNXKBDBIFDIXMLH-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 43223738) is N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine is CC(C)(C)C1CCCCC1NC1CCc2ccccc2C1.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is NXKBDBIFDIXMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-20(2,3)18-10-6-7-11-19(18)21-17-13-12-15-8-4-5-9-16(15)14-17/h4-5,8-9,17-19,21H,6-7,10-14H2,1-3H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 285.47 g/mol, XLogP of 4.74, 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-2-amine is sourced from PubChem (CID 43223738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).