1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine

C16H33NS — CID 65140829

IUPAC1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine
SMILESCCCNC(CSC1CCCC1)CC(C)CCC
InChIInChI=1S/C16H33NS/c1-4-8-14(3)12-15(17-11-5-2)13-18-16-9-6-7-10-16/h14-17H,4-13H2,1-3H3
InChIKeyYJIDPTGWYSGYOF-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.86
Rot. Bonds10

About 1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine

1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine (PubChem CID 65140829) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is 1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine
PubChem CID65140829
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC Name1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine
SMILESCCCNC(CSC1CCCC1)CC(C)CCC
InChIInChI=1S/C16H33NS/c1-4-8-14(3)12-15(17-11-5-2)13-18-16-9-6-7-10-16/h14-17H,4-13H2,1-3H3
InChIKeyYJIDPTGWYSGYOF-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexylsulfanyl-4-methyl-N-propylhexan-2-amine
CID 65144446
1-cyclohexylsulfanyl-N,4-dimethylhexan-2-amine
CID 65139959
1-cyclopentylsulfanyl-N-ethylbutan-2-amine
CID 64628616
1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 114530277
1-cyclopentylsulfanyl-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 65140219
N-(2-cyclopentylsulfanylethyl)pentan-2-amine
CID 63115660
1-cyclopentylsulfanyl-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112643134
1-cyclopentyl-4-methyl-N-propylhexan-2-amine
CID 115846282
1-(cyclopentylmethylsulfanyl)-N-propylpentan-2-amine
CID 64627212
4-(oxetan-3-ylsulfanyl)-3-(propylamino)butan-1-ol
CID 79332997
1-cyclopentylsulfanylpentan-2-amine
CID 64628608
1-cyclopentylsulfanyl-3-methylhexan-2-amine
CID 107896535

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine?
The IUPAC name of 1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine (CID 65140829) is 1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine.
What is the SMILES notation for 1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine?
The canonical SMILES for 1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine is CCCNC(CSC1CCCC1)CC(C)CCC.
What is the InChIKey of 1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine?
The InChIKey is YJIDPTGWYSGYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-4-8-14(3)12-15(17-11-5-2)13-18-16-9-6-7-10-16/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine?
1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine has a molecular weight of 271.51 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanyl-4-methyl-N-propylheptan-2-amine is sourced from PubChem (CID 65140829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).