2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine

C17H36N2 — CID 63495552

IUPAC2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCCC(CC)CN(CC)CC1CC(C)CCC1NC
InChIInChI=1S/C17H36N2/c1-6-15(7-2)12-19(8-3)13-16-11-14(4)9-10-17(16)18-5/h14-18H,6-13H2,1-5H3
InChIKeyDOEYTFUDPBXSBQ-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.77
Rot. Bonds8

About 2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine

2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 63495552) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID63495552
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCCC(CC)CN(CC)CC1CC(C)CCC1NC
InChIInChI=1S/C17H36N2/c1-6-15(7-2)12-19(8-3)13-16-11-14(4)9-10-17(16)18-5/h14-18H,6-13H2,1-5H3
InChIKeyDOEYTFUDPBXSBQ-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[ethyl(propan-2-yl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62614852
2-[[5-methyl-2-(methylamino)cyclohexyl]methyl-propylamino]ethanol
CID 55094802
N,4-dimethyl-2-(2-methylbutyl)cyclohexan-1-amine
CID 62104395
2-[[cyclopropyl(propyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62615565
N,4-dimethyl-2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62615388
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62611562
2-[[cyclopropyl(3-methylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 78991237
2-[[ethyl(2-methylpropyl)amino]methyl]-N-methylcycloheptan-1-amine
CID 62614308
2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63957118
2-[[cyclobutylmethyl(ethyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 107401526
N-ethyl-2-methyl-N-[[5-methyl-2-(methylamino)cyclohexyl]methyl]aniline
CID 63483418
2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 107401543

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine (CID 63495552) is 2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine is CCC(CC)CN(CC)CC1CC(C)CCC1NC.
What is the InChIKey of 2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is DOEYTFUDPBXSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-15(7-2)12-19(8-3)13-16-11-14(4)9-10-17(16)18-5/h14-18H,6-13H2,1-5H3.
What are the key properties of 2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine?
2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 268.49 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 2-[[ethyl(2-ethylbutyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63495552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).