N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine

C13H27NS — CID 115713891

IUPACN-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine
SMILESCC(CSC(C)(C)C)NCC(C)C1CC1
InChIInChI=1S/C13H27NS/c1-10(12-6-7-12)8-14-11(2)9-15-13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyVCUJQFQUSIDODK-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.54
Rot. Bonds6

About N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine

N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine (PubChem CID 115713891) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine.

Molecular Properties

Compound NameN-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine
PubChem CID115713891
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine
SMILESCC(CSC(C)(C)C)NCC(C)C1CC1
InChIInChI=1S/C13H27NS/c1-10(12-6-7-12)8-14-11(2)9-15-13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyVCUJQFQUSIDODK-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

N-(2-cyclopropylpropyl)-3-methylbutan-2-amine
CID 115713855
methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate
CID 104646176
N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine
CID 115713933
1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706189
1-tert-butylsulfanyl-N-[(3-methyloxetan-3-yl)methyl]propan-2-amine
CID 115719753
3-(2-cyclopropylpropylamino)-N,N-dimethylbutanamide
CID 115713914
2-tert-butylsulfanyl-1-cyclopentyl-N-ethylethanamine
CID 65132569
1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine
CID 115716483
2-tert-butylsulfanyl-N-(dicyclopropylmethyl)ethanamine
CID 62577333
N-(1-tert-butylsulfanylpropan-2-yl)cyclohex-3-en-1-amine
CID 115890828
N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine
CID 115895379
1-cyclopropyl-N-(2,2-dicyclopropylethyl)propan-2-amine
CID 115724974

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine?
The IUPAC name of N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine (CID 115713891) is N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine.
What is the SMILES notation for N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine?
The canonical SMILES for N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine is CC(CSC(C)(C)C)NCC(C)C1CC1.
What is the InChIKey of N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine?
The InChIKey is VCUJQFQUSIDODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-10(12-6-7-12)8-14-11(2)9-15-13(3,4)5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine?
N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine is sourced from PubChem (CID 115713891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).