1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine

C13H27NS — CID 65135768

IUPAC1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
SMILESCCCNC(CSCC(C)C)CC1CC1
InChIInChI=1S/C13H27NS/c1-4-7-14-13(8-12-5-6-12)10-15-9-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyOINFYBJTAPSJPA-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.54
Rot. Bonds9

About 1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine

1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine (PubChem CID 65135768) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
PubChem CID65135768
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
SMILESCCCNC(CSCC(C)C)CC1CC1
InChIInChI=1S/C13H27NS/c1-4-7-14-13(8-12-5-6-12)10-15-9-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyOINFYBJTAPSJPA-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65134979
1-cyclopropyl-4-methyl-N-propylpentan-2-amine
CID 64903821
1-(2-methylpropylsulfanyl)-N-propylhexan-2-amine
CID 65135368
N-[1-cyclopropyl-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 64610493
1-(cyclopentylmethylsulfanyl)-N-propylpentan-2-amine
CID 64627212
1-cyclopropyl-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128629
1-cycloheptyl-5-methyl-N-propylhexan-2-amine
CID 115834105
1-(2-methylpropylsulfanyl)-N-propylhex-4-yn-2-amine
CID 65136852
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
[1-(2-methylpropylsulfanyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105226711
4-ethyl-1-(2-methylpropylsulfanyl)-N-propyloctan-2-amine
CID 65135765
1-cyclopentyl-4-methyl-N-propylhexan-2-amine
CID 115846282

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine (CID 65135768) is 1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine is CCCNC(CSCC(C)C)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
The InChIKey is OINFYBJTAPSJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-4-7-14-13(8-12-5-6-12)10-15-9-11(2)3/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine?
1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine has a molecular weight of 229.43 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine is sourced from PubChem (CID 65135768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).