3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine

C19H25NS — CID 64718245

IUPAC3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Sc2ccc3ccccc3c2)C1
InChIInChI=1S/C19H25NS/c1-2-12-20-17-8-5-9-18(14-17)21-19-11-10-15-6-3-4-7-16(15)13-19/h3-4,6-7,10-11,13,17-18,20H,2,5,8-9,12,14H2,1H3
InChIKeyNMWHMSTWRDYUOC-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.24
Rot. Bonds5

About 3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine

3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine (PubChem CID 64718245) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is 3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine
PubChem CID64718245
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC Name3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Sc2ccc3ccccc3c2)C1
InChIInChI=1S/C19H25NS/c1-2-12-20-17-8-5-9-18(14-17)21-19-11-10-15-6-3-4-7-16(15)13-19/h3-4,6-7,10-11,13,17-18,20H,2,5,8-9,12,14H2,1H3
InChIKeyNMWHMSTWRDYUOC-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine?
The IUPAC name of 3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine (CID 64718245) is 3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine is CCCNC1CCCC(Sc2ccc3ccccc3c2)C1.
What is the InChIKey of 3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine?
The InChIKey is NMWHMSTWRDYUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-2-12-20-17-8-5-9-18(14-17)21-19-11-10-15-6-3-4-7-16(15)13-19/h3-4,6-7,10-11,13,17-18,20H,2,5,8-9,12,14H2,1H3.
What are the key properties of 3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine?
3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylsulfanyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64718245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).