4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine

C15H31NS — CID 64625882

IUPAC4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)CC)CC1SC
InChIInChI=1S/C15H31NS/c1-6-10-16-13-9-8-12(11-14(13)17-5)15(3,4)7-2/h12-14,16H,6-11H2,1-5H3
InChIKeyKQXSTYXQZNNXQB-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.32
Rot. Bonds6

About 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine

4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine (PubChem CID 64625882) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine
PubChem CID64625882
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)CC)CC1SC
InChIInChI=1S/C15H31NS/c1-6-10-16-13-9-8-12(11-14(13)17-5)15(3,4)7-2/h12-14,16H,6-11H2,1-5H3
InChIKeyKQXSTYXQZNNXQB-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methoxyethylsulfanyl)-4-(2-methylbutan-2-yl)-N-propylcyclohexan-1-amine
CID 64613470
4-(2-methylbutan-2-yl)-2-methylsulfanylcyclohexan-1-amine
CID 64628286
2-N-methyl-4-(2-methylbutan-2-yl)-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63467170
4-tert-butyl-2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611522
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
ethyl 2-[5-tert-butyl-2-(propylamino)cyclohexyl]sulfanylacetate
CID 64615662
4-tert-butyl-2-phenylsulfanyl-N-propylcyclohexan-1-amine
CID 64621738
4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 106496874
3-[2-(methylamino)-5-(2-methylbutan-2-yl)cyclohexyl]sulfanylpropan-1-ol
CID 66126855
4-tert-butyl-2-methylsulfinyl-N-propylcyclohexan-1-amine
CID 64657231
4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
4-tert-butyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 107784358

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine (CID 64625882) is 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)(C)CC)CC1SC.
What is the InChIKey of 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine?
The InChIKey is KQXSTYXQZNNXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-6-10-16-13-9-8-12(11-14(13)17-5)15(3,4)7-2/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine?
4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine has a molecular weight of 257.49 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-2-methylsulfanyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64625882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).