N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine

C19H39N — CID 82935432

IUPACN-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCC(CC)CC1CC(CC)CCC1CNC(C)(C)C
InChIInChI=1S/C19H39N/c1-7-15(8-2)12-18-13-16(9-3)10-11-17(18)14-20-19(4,5)6/h15-18,20H,7-14H2,1-6H3
InChIKeyRELFYOVUSCJPKY-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.64
Rot. Bonds7

About N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine

N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 82935432) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID82935432
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC NameN-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCC(CC)CC1CC(CC)CCC1CNC(C)(C)C
InChIInChI=1S/C19H39N/c1-7-15(8-2)12-18-13-16(9-3)10-11-17(18)14-20-19(4,5)6/h15-18,20H,7-14H2,1-6H3
InChIKeyRELFYOVUSCJPKY-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 82935432) is N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine is CCC(CC)CC1CC(CC)CCC1CNC(C)(C)C.
What is the InChIKey of N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is RELFYOVUSCJPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-7-15(8-2)12-18-13-16(9-3)10-11-17(18)14-20-19(4,5)6/h15-18,20H,7-14H2,1-6H3.
What are the key properties of N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 281.53 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-ethylbutyl)cyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82935432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).