N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine

C11H23NS — CID 115719687

IUPACN-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNC(C)CC1CC1
InChIInChI=1S/C11H23NS/c1-9(8-13-3)7-12-10(2)6-11-4-5-11/h9-12H,4-8H2,1-3H3
InChIKeyCPFRIOIWYNANAE-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.76
Rot. Bonds7

About N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine

N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 115719687) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID115719687
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNC(C)CC1CC1
InChIInChI=1S/C11H23NS/c1-9(8-13-3)7-12-10(2)6-11-4-5-11/h9-12H,4-8H2,1-3H3
InChIKeyCPFRIOIWYNANAE-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-cyclopropylpropan-2-ylamino)-3-methylbutan-1-ol
CID 115725095
1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706204
2-methyl-3-methylsulfanyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 79538185
1-cyclopropyl-N-(2,2-dicyclopropylethyl)propan-2-amine
CID 115724974
1-cyclopropyl-N-(2,2-dimethoxyethyl)propan-2-amine
CID 63989699
1-N-(1-cyclopropylpropan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717048
1-cyclopropyl-N-(2-methyl-3-methylsulfanylpropyl)butan-1-amine
CID 115770001
N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
CID 104537240
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate
CID 103251044
N-[cyclopropyl(phenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981486
3-(1-cyclopropylpropan-2-ylamino)-N'-hydroxy-2-methylpropanimidamide
CID 77028693

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine (CID 115719687) is N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNC(C)CC1CC1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is CPFRIOIWYNANAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(8-13-3)7-12-10(2)6-11-4-5-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine?
N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115719687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).