3-methyl-1-methylsulfanyl-N-propylpentan-2-amine

C10H23NS — CID 79445388

IUPAC3-methyl-1-methylsulfanyl-N-propylpentan-2-amine
SMILESCCCNC(CSC)C(C)CC
InChIInChI=1S/C10H23NS/c1-5-7-11-10(8-12-4)9(3)6-2/h9-11H,5-8H2,1-4H3
InChIKeyGFSUFEQASKIJTK-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.76
Rot. Bonds7

About 3-methyl-1-methylsulfanyl-N-propylpentan-2-amine

3-methyl-1-methylsulfanyl-N-propylpentan-2-amine (PubChem CID 79445388) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 3-methyl-1-methylsulfanyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-methyl-1-methylsulfanyl-N-propylpentan-2-amine
PubChem CID79445388
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name3-methyl-1-methylsulfanyl-N-propylpentan-2-amine
SMILESCCCNC(CSC)C(C)CC
InChIInChI=1S/C10H23NS/c1-5-7-11-10(8-12-4)9(3)6-2/h9-11H,5-8H2,1-4H3
InChIKeyGFSUFEQASKIJTK-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dimethyl-N-propyloctan-4-amine
CID 63716674
1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79446165
3-methyl-N-propylhexadecan-4-amine
CID 63717053
1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79445979
3-methyl-1-N,1-N-bis(3-methylbutyl)-2-N-propylpentane-1,2-diamine
CID 107869654
1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine
CID 79575196
3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine
CID 103987457
4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine
CID 63560225
4,5-dimethyl-N-propylheptan-2-amine
CID 79443938
4-ethyl-5-methyl-N-propylhexan-3-amine
CID 79307988
1-(3,3-difluorocyclopentyl)-3-methyl-4-methylsulfanyl-N-propylbutan-2-amine
CID 114225728
1-(2-chlorophenyl)-3-methyl-N-propylpentan-2-amine
CID 63526507

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-methylsulfanyl-N-propylpentan-2-amine?
The IUPAC name of 3-methyl-1-methylsulfanyl-N-propylpentan-2-amine (CID 79445388) is 3-methyl-1-methylsulfanyl-N-propylpentan-2-amine.
What is the SMILES notation for 3-methyl-1-methylsulfanyl-N-propylpentan-2-amine?
The canonical SMILES for 3-methyl-1-methylsulfanyl-N-propylpentan-2-amine is CCCNC(CSC)C(C)CC.
What is the InChIKey of 3-methyl-1-methylsulfanyl-N-propylpentan-2-amine?
The InChIKey is GFSUFEQASKIJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-5-7-11-10(8-12-4)9(3)6-2/h9-11H,5-8H2,1-4H3.
What are the key properties of 3-methyl-1-methylsulfanyl-N-propylpentan-2-amine?
3-methyl-1-methylsulfanyl-N-propylpentan-2-amine has a molecular weight of 189.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-methylsulfanyl-N-propylpentan-2-amine is sourced from PubChem (CID 79445388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).