4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine

C15H31NS — CID 64634442

IUPAC4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1SC(C)C
InChIInChI=1S/C15H31NS/c1-6-9-16-14-8-7-13(11(2)3)10-15(14)17-12(4)5/h11-16H,6-10H2,1-5H3
InChIKeyCHFKXAOMZDOQQT-UHFFFAOYSA-N
MW257.49 g/mol
LogP4.32
Rot. Bonds6

About 4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine

4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine (PubChem CID 64634442) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is 4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
PubChem CID64634442
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Name4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1SC(C)C
InChIInChI=1S/C15H31NS/c1-6-9-16-14-8-7-13(11(2)3)10-15(14)17-12(4)5/h11-16H,6-10H2,1-5H3
InChIKeyCHFKXAOMZDOQQT-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-propan-2-yl-2-propan-2-ylsulfanyl-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-bromophenyl)sulfanyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64613092
4-phenyl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64633246
N-ethyl-2-methylsulfanyl-4-propan-2-ylcyclohexan-1-amine
CID 64627479
2-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63465920
2-(diethylaminomethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55197305
2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62708059
2-N-(1-cyclopropylethyl)-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63470088
4-methyl-3-[5-propan-2-yl-2-(propylamino)cyclohexyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64634352
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 83158482
2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64652319

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine?
The IUPAC name of 4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine (CID 64634442) is 4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1SC(C)C.
What is the InChIKey of 4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine?
The InChIKey is CHFKXAOMZDOQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NS/c1-6-9-16-14-8-7-13(11(2)3)10-15(14)17-12(4)5/h11-16H,6-10H2,1-5H3.
What are the key properties of 4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine?
4-propan-2-yl-2-propan-2-ylsulfanyl-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-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64634442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).