1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine

C7H15NS — CID 170328299

IUPAC1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine
SMILESCSNCC1CC(C)C1
InChIInChI=1S/C7H15NS/c1-6-3-7(4-6)5-8-9-2/h6-8H,3-5H2,1-2H3
InChIKeyHFXJYQICTYSERP-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.90
Rot. Bonds3

About 1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine

1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine (PubChem CID 170328299) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine.

Molecular Properties

Compound Name1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine
PubChem CID170328299
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine
SMILESCSNCC1CC(C)C1
InChIInChI=1S/C7H15NS/c1-6-3-7(4-6)5-8-9-2/h6-8H,3-5H2,1-2H3
InChIKeyHFXJYQICTYSERP-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 64994767
CID 64994767
CID 131966976
CID 131966976
CID 89311013
CID 89311013
CID 118601789
CID 118601789
CID 138605818
CID 138605818
CID 138720104
CID 138720104
CID 142086551
CID 142086551
CID 147797017
CID 147797017
CID 155095485
CID 155095485
CID 163595204
CID 163595204
CID 166750535
CID 166750535
CID 166781491
CID 166781491

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine?
The IUPAC name of 1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine (CID 170328299) is 1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine.
What is the SMILES notation for 1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine?
The canonical SMILES for 1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine is CSNCC1CC(C)C1.
What is the InChIKey of 1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine?
The InChIKey is HFXJYQICTYSERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6-3-7(4-6)5-8-9-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine?
1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine has a molecular weight of 145.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclobutyl)-N-methylsulfanylmethanamine is sourced from PubChem (CID 170328299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).