N-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine

C16H33NS — CID 65129280

IUPACN-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSCCC)C1CC(C)CC(C)C1
InChIInChI=1S/C16H33NS/c1-5-7-17-16(12-18-8-6-2)15-10-13(3)9-14(4)11-15/h13-17H,5-12H2,1-4H3
InChIKeySLWFCSMQFBELCK-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.57
Rot. Bonds8

About N-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine

N-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine (PubChem CID 65129280) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is N-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine
PubChem CID65129280
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC NameN-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSCCC)C1CC(C)CC(C)C1
InChIInChI=1S/C16H33NS/c1-5-7-17-16(12-18-8-6-2)15-10-13(3)9-14(4)11-15/h13-17H,5-12H2,1-4H3
InChIKeySLWFCSMQFBELCK-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine (CID 65129280) is N-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine is CCCNC(CSCCC)C1CC(C)CC(C)C1.
What is the InChIKey of N-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine?
The InChIKey is SLWFCSMQFBELCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-5-7-17-16(12-18-8-6-2)15-10-13(3)9-14(4)11-15/h13-17H,5-12H2,1-4H3.
What are the key properties of N-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine?
N-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine has a molecular weight of 271.51 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 65129280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).