N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine

C18H36N2S — CID 115987485

IUPACN-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
SMILESCCC(CSC)N(C)CC1(CNC2CC2)CCCCCC1
InChIInChI=1S/C18H36N2S/c1-4-17(13-21-3)20(2)15-18(14-19-16-9-10-16)11-7-5-6-8-12-18/h16-17,19H,4-15H2,1-3H3
InChIKeyLYOWPLJYKKYWOS-UHFFFAOYSA-N
MW312.57 g/mol
LogP4.15
Rot. Bonds9

About N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine

N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine (PubChem CID 115987485) has the molecular formula C18H36N2S and a molecular weight of 312.57 g/mol. Its IUPAC name is N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
PubChem CID115987485
Molecular FormulaC18H36N2S
Molecular Weight312.57 g/mol
Exact Mass312.26
IUPAC NameN-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
SMILESCCC(CSC)N(C)CC1(CNC2CC2)CCCCCC1
InChIInChI=1S/C18H36N2S/c1-4-17(13-21-3)20(2)15-18(14-19-16-9-10-16)11-7-5-6-8-12-18/h16-17,19H,4-15H2,1-3H3
InChIKeyLYOWPLJYKKYWOS-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 112664935
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112664870
N-methyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987455
N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 62256313
N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 115987473
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112660945
N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine
CID 112664977
N-[[1-[[propan-2-yl(propyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62263309
2-N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191382
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylpentan-3-amine
CID 62256289
N-[[1-[[bis(2-methylpropyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 63493102
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine
CID 65010565

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine (CID 115987485) is N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine is CCC(CSC)N(C)CC1(CNC2CC2)CCCCCC1.
What is the InChIKey of N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine?
The InChIKey is LYOWPLJYKKYWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2S/c1-4-17(13-21-3)20(2)15-18(14-19-16-9-10-16)11-7-5-6-8-12-18/h16-17,19H,4-15H2,1-3H3.
What are the key properties of N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine?
N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine has a molecular weight of 312.57 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine is sourced from PubChem (CID 115987485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).