1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine

C14H29NS — CID 105135576

IUPAC1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(CCSC)CC1CCCCC1
InChIInChI=1S/C14H29NS/c1-3-10-15-14(9-11-16-2)12-13-7-5-4-6-8-13/h13-15H,3-12H2,1-2H3
InChIKeyVQYJXXCYXSDIEW-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.08
Rot. Bonds8

About 1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine

1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine (PubChem CID 105135576) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
PubChem CID105135576
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(CCSC)CC1CCCCC1
InChIInChI=1S/C14H29NS/c1-3-10-15-14(9-11-16-2)12-13-7-5-4-6-8-13/h13-15H,3-12H2,1-2H3
InChIKeyVQYJXXCYXSDIEW-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
1-cyclopentyl-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105138985
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cyclopropyl-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105152861
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917
4-methylsulfanyl-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 105166938
1-cyclopentyl-N-propylhex-5-en-2-amine
CID 104987521
1-cycloheptyl-N-propylhept-5-yn-2-amine
CID 105037098
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851
1-(cyclopentylmethylsulfanyl)-N-propylpentan-2-amine
CID 64627212
1-cyclopentyl-5-ethoxy-N-propylpentan-2-amine
CID 105139073

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine?
The IUPAC name of 1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine (CID 105135576) is 1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine?
The canonical SMILES for 1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine is CCCNC(CCSC)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine?
The InChIKey is VQYJXXCYXSDIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-3-10-15-14(9-11-16-2)12-13-7-5-4-6-8-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine?
1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine has a molecular weight of 243.46 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-methylsulfanyl-N-propylbutan-2-amine is sourced from PubChem (CID 105135576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).