N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine

C20H31N — CID 137448864

IUPACN-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine
SMILESc1cc2c(cc1NC1CCCCC1)CCCCCCCC2
InChIInChI=1S/C20H31N/c1-2-4-7-11-18-16-20(15-14-17(18)10-6-3-1)21-19-12-8-5-9-13-19/h14-16,19,21H,1-13H2
InChIKeyIHWCATVDCZJSDU-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.87
Rot. Bonds2

About N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine

N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine (PubChem CID 137448864) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine
PubChem CID137448864
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine
SMILESc1cc2c(cc1NC1CCCCC1)CCCCCCCC2
InChIInChI=1S/C20H31N/c1-2-4-7-11-18-16-20(15-14-17(18)10-6-3-1)21-19-12-8-5-9-13-19/h14-16,19,21H,1-13H2
InChIKeyIHWCATVDCZJSDU-UHFFFAOYSA-N
XLogP5.87
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 ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine?
The IUPAC name of N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine (CID 137448864) is N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine.
What is the SMILES notation for N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine?
The canonical SMILES for N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine is c1cc2c(cc1NC1CCCCC1)CCCCCCCC2.
What is the InChIKey of N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine?
The InChIKey is IHWCATVDCZJSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-4-7-11-18-16-20(15-14-17(18)10-6-3-1)21-19-12-8-5-9-13-19/h14-16,19,21H,1-13H2.
What are the key properties of N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine?
N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine has a molecular weight of 285.47 g/mol, XLogP of 5.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-3-amine is sourced from PubChem (CID 137448864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).