N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine

C12H25NS — CID 107269730

IUPACN-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine
SMILESCCCC(CC)NCC1(SC)CCC1
InChIInChI=1S/C12H25NS/c1-4-7-11(5-2)13-10-12(14-3)8-6-9-12/h11,13H,4-10H2,1-3H3
InChIKeyIPRFKLABPBUQLY-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.44
Rot. Bonds7

About N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine

N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine (PubChem CID 107269730) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine.

Molecular Properties

Compound NameN-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine
PubChem CID107269730
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine
SMILESCCCC(CC)NCC1(SC)CCC1
InChIInChI=1S/C12H25NS/c1-4-7-11(5-2)13-10-12(14-3)8-6-9-12/h11,13H,4-10H2,1-3H3
InChIKeyIPRFKLABPBUQLY-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine
CID 115892015
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]hexan-3-amine
CID 115906230
2,6-dimethyl-N-[(1-methylsulfanylcyclopropyl)methyl]heptan-4-amine
CID 107270055
4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol
CID 114115711
N-[(4-methylsulfanyloxan-4-yl)methyl]hexan-2-amine
CID 115892010
N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 107270941
1-[(pentan-3-ylamino)methyl]cyclobutan-1-ol
CID 115692707
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 107269688
2-[[(3S)-hexan-3-yl]amino]ethanol
CID 27254970
2-[[(3R)-hexan-3-yl]amino]ethanol
CID 27254966
N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine
CID 107266129
N-ethyl-2-[(1-methylsulfanylcyclohexyl)methylamino]propanamide
CID 114116655

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine?
The IUPAC name of N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine (CID 107269730) is N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine.
What is the SMILES notation for N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine?
The canonical SMILES for N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine is CCCC(CC)NCC1(SC)CCC1.
What is the InChIKey of N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine?
The InChIKey is IPRFKLABPBUQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-7-11(5-2)13-10-12(14-3)8-6-9-12/h11,13H,4-10H2,1-3H3.
What are the key properties of N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine?
N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine has a molecular weight of 215.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine is sourced from PubChem (CID 107269730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).