3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine

C17H33NS — CID 137466893

IUPAC3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine
SMILESC=C(NCC(C)CSC)C(CC)CC1CCCCC1
InChIInChI=1S/C17H33NS/c1-5-17(11-16-9-7-6-8-10-16)15(3)18-12-14(2)13-19-4/h14,16-18H,3,5-13H2,1-2,4H3
InChIKeyXPHSYUICGQDGFO-UHFFFAOYSA-N
MW283.52 g/mol
LogP5.09
Rot. Bonds9

About 3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine

3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine (PubChem CID 137466893) has the molecular formula C17H33NS and a molecular weight of 283.52 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine
PubChem CID137466893
Molecular FormulaC17H33NS
Molecular Weight283.52 g/mol
Exact Mass283.23
IUPAC Name3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine
SMILESC=C(NCC(C)CSC)C(CC)CC1CCCCC1
InChIInChI=1S/C17H33NS/c1-5-17(11-16-9-7-6-8-10-16)15(3)18-12-14(2)13-19-4/h14,16-18H,3,5-13H2,1-2,4H3
InChIKeyXPHSYUICGQDGFO-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.52
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine?
The IUPAC name of 3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine (CID 137466893) is 3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine.
What is the SMILES notation for 3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine?
The canonical SMILES for 3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine is C=C(NCC(C)CSC)C(CC)CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine?
The InChIKey is XPHSYUICGQDGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NS/c1-5-17(11-16-9-7-6-8-10-16)15(3)18-12-14(2)13-19-4/h14,16-18H,3,5-13H2,1-2,4H3.
What are the key properties of 3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine?
3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine has a molecular weight of 283.52 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-N-(2-methyl-3-methylsulfanylpropyl)pent-1-en-2-amine is sourced from PubChem (CID 137466893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).