N-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine

C10H21NS — CID 65458964

IUPACN-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCC1CCC1
InChIInChI=1S/C10H21NS/c1-9(8-12-2)6-11-7-10-4-3-5-10/h9-11H,3-8H2,1-2H3
InChIKeyINKXQKMMIVFBKI-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.38
Rot. Bonds6

About N-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine

N-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 65458964) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID65458964
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC NameN-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCC1CCC1
InChIInChI=1S/C10H21NS/c1-9(8-12-2)6-11-7-10-4-3-5-10/h9-11H,3-8H2,1-2H3
InChIKeyINKXQKMMIVFBKI-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine
CID 134995244
2-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine
CID 105818975
3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]propan-1-amine
CID 105818994
4,4,4-trifluoro-N-[(1-methylsulfanylcyclobutyl)methyl]butan-1-amine
CID 105819178
3,3,3-trifluoro-N-[(1-methylsulfanylcyclobutyl)methyl]propan-1-amine
CID 105819182
N-[(1-methylsulfanylcyclobutyl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 105819572
iso Amyl 3-methylthiopropylamine
CID 20343067
N-(3-methylsulfanylpropyl)pentan-1-amine
CID 20343102
4-(3-Methylbutylsulfanyl)piperidine
CID 20735397
4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
CID 21355442
N-[2-(methylthio)ethyl]isoamylamine
CID 22722754
2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 28610784

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine (CID 65458964) is N-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is INKXQKMMIVFBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-9(8-12-2)6-11-7-10-4-3-5-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine?
N-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 65458964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).