1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine

C12H25NS — CID 115770001

IUPAC1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
SMILESCCCC(NCC(C)CSC)C1CC1
InChIInChI=1S/C12H25NS/c1-4-5-12(11-6-7-11)13-8-10(2)9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyDEIBYXOPFNOGRZ-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.15
Rot. Bonds8

About 1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine

1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine (PubChem CID 115770001) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
PubChem CID115770001
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
SMILESCCCC(NCC(C)CSC)C1CC1
InChIInChI=1S/C12H25NS/c1-4-5-12(11-6-7-11)13-8-10(2)9-14-3/h10-13H,4-9H2,1-3H3
InChIKeyDEIBYXOPFNOGRZ-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 115719687
N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981486
methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate
CID 103251044
N-ethyl-1-(4-methylcyclohexyl)-2-methylsulfanylethanamine
CID 64776056
N-[cyclopropyl(thiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981496
N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine
CID 63982163
5-(1-cyclopropylpropylamino)-4-methylpentan-2-ol
CID 115722950
1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol
CID 115769996
N-(2-methyl-3-methylsulfanylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091044
2-[(2-methyl-3-methylsulfanylpropyl)amino]-N-propylpropanamide
CID 63966960
1-cyclopropyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
CID 115770147
N-butyl-1-cyclopentylbutan-1-amine
CID 173232536

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine?
The IUPAC name of 1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine (CID 115770001) is 1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine is CCCC(NCC(C)CSC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine?
The InChIKey is DEIBYXOPFNOGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-5-12(11-6-7-11)13-8-10(2)9-14-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine?
1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine is sourced from PubChem (CID 115770001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).