N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine

C13H23NS — CID 107267219

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCSC1(CNC2CC3CCC2C3)CCC1
InChIInChI=1S/C13H23NS/c1-15-13(5-2-6-13)9-14-12-8-10-3-4-11(12)7-10/h10-12,14H,2-9H2,1H3
InChIKeyUQNIWCVBXQBJSU-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.05
Rot. Bonds4

About N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine

N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 107267219) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID107267219
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCSC1(CNC2CC3CCC2C3)CCC1
InChIInChI=1S/C13H23NS/c1-15-13(5-2-6-13)9-14-12-8-10-3-4-11(12)7-10/h10-12,14H,2-9H2,1H3
InChIKeyUQNIWCVBXQBJSU-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylsulfanylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 107267605
N-[(1-cyclopropylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115895728
N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115893902
2-methyl-N-[(1-methylsulfanylcyclopropyl)methyl]cyclopentan-1-amine
CID 107267414
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
2-[1-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclopropyl]ethanol
CID 114750760
2,2-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclopentan-1-amine
CID 107269703
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
N-[(1-methylsulfanylcyclobutyl)methyl]thietan-3-amine
CID 170900002
[1-[[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]methyl]cyclohexyl]-dimethylazanium
CID 11934641
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine
CID 130712762

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 107267219) is N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine is CSC1(CNC2CC3CCC2C3)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is UQNIWCVBXQBJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-15-13(5-2-6-13)9-14-12-8-10-3-4-11(12)7-10/h10-12,14H,2-9H2,1H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine?
N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 225.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 107267219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).