N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine

C16H32N2S — CID 112664702

IUPACN-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCSCCN(C)CC1(CNC2CC2)CCCC(C)C1
InChIInChI=1S/C16H32N2S/c1-14-5-4-8-16(11-14,12-17-15-6-7-15)13-18(2)9-10-19-3/h14-15,17H,4-13H2,1-3H3
InChIKeyLECNRFCAABBNQS-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.23
Rot. Bonds8

About N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine

N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine (PubChem CID 112664702) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
PubChem CID112664702
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC NameN-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
SMILESCSCCN(C)CC1(CNC2CC2)CCCC(C)C1
InChIInChI=1S/C16H32N2S/c1-14-5-4-8-16(11-14,12-17-15-6-7-15)13-18(2)9-10-19-3/h14-15,17H,4-13H2,1-3H3
InChIKeyLECNRFCAABBNQS-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81063204
1-[[methyl-[[3-methyl-1-(methylaminomethyl)cyclohexyl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953469
N-[[1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopentyl]methyl]cyclopropanamine
CID 63633194
2-methyl-N-[[1-[[methyl(2-methylsulfanylethyl)amino]methyl]cycloheptyl]methyl]propan-1-amine
CID 115987410
N-[[1-(ethylaminomethyl)-3-methylcyclohexyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 115987473
[3-methyl-1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexyl]methanol
CID 81074444
N-[[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclohexyl]methyl]cyclopropanamine
CID 112664935
N-cyclopropyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112665474
N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
CID 115987485
4-[[1-(aminomethyl)-3-methylcyclohexyl]methyl-methylamino]butan-2-ol
CID 113499916
[1-[[2-ethoxyethyl(methyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 81074798
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine (CID 112664702) is N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine is CSCCN(C)CC1(CNC2CC2)CCCC(C)C1.
What is the InChIKey of N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
The InChIKey is LECNRFCAABBNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-14-5-4-8-16(11-14,12-17-15-6-7-15)13-18(2)9-10-19-3/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine?
N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine has a molecular weight of 284.51 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 112664702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).