N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine

C18H36N2 — CID 166996451

IUPACN-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine
SMILESCCC1CCC(CN(C)CCC2CC(CNC)C2)CC1
InChIInChI=1S/C18H36N2/c1-4-15-5-7-16(8-6-15)14-20(3)10-9-17-11-18(12-17)13-19-2/h15-19H,4-14H2,1-3H3
InChIKeyGGMWNXHWOWLXFG-UHFFFAOYSA-N
MW280.50 g/mol
LogP3.77
Rot. Bonds8

About N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine

N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine (PubChem CID 166996451) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine
PubChem CID166996451
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine
SMILESCCC1CCC(CN(C)CCC2CC(CNC)C2)CC1
InChIInChI=1S/C18H36N2/c1-4-15-5-7-16(8-6-15)14-20(3)10-9-17-11-18(12-17)13-19-2/h15-19H,4-14H2,1-3H3
InChIKeyGGMWNXHWOWLXFG-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734
4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 115213754
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopropylmethyl)-N-methylethanamine
CID 79615266
N-[(4-ethylcyclohexyl)methyl]-N-methylpropan-2-amine
CID 170952528
1-[3-[(dimethylamino)methyl]cyclohexyl]-N-methylmethanamine
CID 19029842
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine
CID 91593500
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(oxan-4-ylmethyl)ethanamine
CID 79615063
1,3-diethylcyclopentane
CID 530396
N,N'-dimethyl-N'-[[4-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
CID 113408998
4-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239955
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine (CID 166996451) is N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine is CCC1CCC(CN(C)CCC2CC(CNC)C2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine?
The InChIKey is GGMWNXHWOWLXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-15-5-7-16(8-6-15)14-20(3)10-9-17-11-18(12-17)13-19-2/h15-19H,4-14H2,1-3H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine?
N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine has a molecular weight of 280.50 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine is sourced from PubChem (CID 166996451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).