N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine

C11H23NS — CID 114899187

IUPACN-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine
SMILESCSCCCC(C)CNC1CCC1
InChIInChI=1S/C11H23NS/c1-10(5-4-8-13-2)9-12-11-6-3-7-11/h10-12H,3-9H2,1-2H3
InChIKeyQWQMXVRGAZYWAU-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.91
Rot. Bonds7

About N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine

N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine (PubChem CID 114899187) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine
PubChem CID114899187
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine
SMILESCSCCCC(C)CNC1CCC1
InChIInChI=1S/C11H23NS/c1-10(5-4-8-13-2)9-12-11-6-3-7-11/h10-12H,3-9H2,1-2H3
InChIKeyQWQMXVRGAZYWAU-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-3-methylsulfanylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091044
4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine
CID 65079994
N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine
CID 114192573
N-(4-chloro-2-methylbutyl)cycloheptanamine
CID 82936912
N-(2-methyl-4-phenylsulfanylbutyl)cyclobutanamine
CID 114899233
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
N-(2-methylbutyl)cyclopentanamine
CID 43200714
N-(2-methyl-3-methylsulfanylpropyl)-4-propylcycloheptan-1-amine
CID 65091091
N-(3-cyclohexyl-2-methylpropyl)cyclobutanamine
CID 114899134
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
5-(cyclohexylamino)-4-methylpentanoic acid
CID 82933568
N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine
CID 115721359

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine?
The IUPAC name of N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine (CID 114899187) is N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine.
What is the SMILES notation for N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine?
The canonical SMILES for N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine is CSCCCC(C)CNC1CCC1.
What is the InChIKey of N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine?
The InChIKey is QWQMXVRGAZYWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-10(5-4-8-13-2)9-12-11-6-3-7-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine?
N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine has a molecular weight of 201.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine is sourced from PubChem (CID 114899187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).