N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine

C15H31N — CID 81018447

IUPACN-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine
SMILESCCCCC(CC)CC1CCC1CNCC
InChIInChI=1S/C15H31N/c1-4-7-8-13(5-2)11-14-9-10-15(14)12-16-6-3/h13-16H,4-12H2,1-3H3
InChIKeyLBHYBWDGVNJCIK-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.23
Rot. Bonds9

About N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine

N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine (PubChem CID 81018447) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine
PubChem CID81018447
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine
SMILESCCCCC(CC)CC1CCC1CNCC
InChIInChI=1S/C15H31N/c1-4-7-8-13(5-2)11-14-9-10-15(14)12-16-6-3/h13-16H,4-12H2,1-3H3
InChIKeyLBHYBWDGVNJCIK-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024041
N-[[2-(2-ethylbutyl)-4-propylcyclohexyl]methyl]ethanamine
CID 82935925
3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64908358
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-ethylhexan-1-amine
CID 114004229
2-(2-ethylhexyl)-N-methylcyclopentan-1-amine
CID 63400350
N,2-diethylhexan-1-amine
CID 14272988
3-(2-ethylhexyl)-2-methylcyclopentan-1-one
CID 64908527
2-(2-ethylhexyl)oxetane
CID 158420180
2-(2-ethylhexyl)-N-methyl-4-propylcyclohexan-1-amine
CID 55187488
3-ethyldodecane;bis(N-ethylethanamine)
CID 160952353
1-bromo-4-ethyl-2-(2-ethylhexyl)cyclohexane
CID 63472984
2-(2-ethylhexyl)cyclopentane-1-carboxylic acid
CID 81008544

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine (CID 81018447) is N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine is CCCCC(CC)CC1CCC1CNCC.
What is the InChIKey of N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine?
The InChIKey is LBHYBWDGVNJCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-7-8-13(5-2)11-14-9-10-15(14)12-16-6-3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine?
N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine has a molecular weight of 225.42 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81018447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).