N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine

C16H32N2S — CID 112664935

IUPACN-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCSCC(C)N(C)CC1(CNC2CC2)CCCCC1
InChIInChI=1S/C16H32N2S/c1-14(11-19-3)18(2)13-16(9-5-4-6-10-16)12-17-15-7-8-15/h14-15,17H,4-13H2,1-3H3
InChIKeyBTEMLWOLWTZMHT-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.37
Rot. Bonds8

About N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine

N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 112664935) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID112664935
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC NameN-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCSCC(C)N(C)CC1(CNC2CC2)CCCCC1
InChIInChI=1S/C16H32N2S/c1-14(11-19-3)18(2)13-16(9-5-4-6-10-16)12-17-15-7-8-15/h14-15,17H,4-13H2,1-3H3
InChIKeyBTEMLWOLWTZMHT-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
CID 115987485
N-[[1-[[methyl(pentan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 62256313
N-methyl-1-methylsulfanyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine
CID 112664977
N-[[1-(ethylaminomethyl)cyclohexyl]methyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 112665025
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-[[bis(2-methylpropyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 63493102
N-[[1-[[cyclopropyl(2-methylpropyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 62260942
N-cyclopropyl-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112661279
N-[[1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 63633194
N-[[1-[[butyl(ethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 63483056
N-[[1-[[cyclobutylmethyl(ethyl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
CID 107401601

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine (CID 112664935) is N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine is CSCC(C)N(C)CC1(CNC2CC2)CCCCC1.
What is the InChIKey of N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is BTEMLWOLWTZMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-14(11-19-3)18(2)13-16(9-5-4-6-10-16)12-17-15-7-8-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 284.51 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 112664935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).