N-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine

C16H33NS — CID 65128991

IUPACN-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSCCC)C1CCCCC1CC
InChIInChI=1S/C16H33NS/c1-4-11-17-16(13-18-12-5-2)15-10-8-7-9-14(15)6-3/h14-17H,4-13H2,1-3H3
InChIKeyMXVFKTCLATVIOH-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.71
Rot. Bonds9

About N-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine

N-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine (PubChem CID 65128991) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is N-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine
PubChem CID65128991
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC NameN-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSCCC)C1CCCCC1CC
InChIInChI=1S/C16H33NS/c1-4-11-17-16(13-18-12-5-2)15-10-8-7-9-14(15)6-3/h14-17H,4-13H2,1-3H3
InChIKeyMXVFKTCLATVIOH-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.71
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-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine (CID 65128991) is N-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine is CCCNC(CSCCC)C1CCCCC1CC.
What is the InChIKey of N-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine?
The InChIKey is MXVFKTCLATVIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-4-11-17-16(13-18-12-5-2)15-10-8-7-9-14(15)6-3/h14-17H,4-13H2,1-3H3.
What are the key properties of N-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine?
N-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine has a molecular weight of 271.51 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylcyclohexyl)-2-propylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 65128991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).