N-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine

C19H33NS — CID 139470410

IUPACN-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine
SMILESCC12CCCC(NC3CCCCC3)C1SC1CCCCC12
InChIInChI=1S/C19H33NS/c1-19-13-7-11-16(20-14-8-3-2-4-9-14)18(19)21-17-12-6-5-10-15(17)19/h14-18,20H,2-13H2,1H3
InChIKeyICMDASFRCLPAGX-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.14
Rot. Bonds2

About N-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine

N-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine (PubChem CID 139470410) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is N-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine
PubChem CID139470410
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC NameN-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine
SMILESCC12CCCC(NC3CCCCC3)C1SC1CCCCC12
InChIInChI=1S/C19H33NS/c1-19-13-7-11-16(20-14-8-3-2-4-9-14)18(19)21-17-12-6-5-10-15(17)19/h14-18,20H,2-13H2,1H3
InChIKeyICMDASFRCLPAGX-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine?
The IUPAC name of N-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine (CID 139470410) is N-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine.
What is the SMILES notation for N-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine?
The canonical SMILES for N-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine is CC12CCCC(NC3CCCCC3)C1SC1CCCCC12.
What is the InChIKey of N-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine?
The InChIKey is ICMDASFRCLPAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-19-13-7-11-16(20-14-8-3-2-4-9-14)18(19)21-17-12-6-5-10-15(17)19/h14-18,20H,2-13H2,1H3.
What are the key properties of N-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine?
N-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine has a molecular weight of 307.55 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-9b-methyl-2,3,4,4a,5a,6,7,8,9,9a-decahydro-1H-dibenzothiophen-4-amine is sourced from PubChem (CID 139470410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).