N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine

C15H30N2 — CID 104692327

IUPACN-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1N1CCCCCC1CC
InChIInChI=1S/C15H30N2/c1-3-14-8-6-5-7-11-17(14)15-10-9-13(15)12-16-4-2/h13-16H,3-12H2,1-2H3
InChIKeyAOLHZTZCIGRTSU-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds5

About N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine

N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine (PubChem CID 104692327) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine
PubChem CID104692327
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1N1CCCCCC1CC
InChIInChI=1S/C15H30N2/c1-3-14-8-6-5-7-11-17(14)15-10-9-13(15)12-16-4-2/h13-16H,3-12H2,1-2H3
InChIKeyAOLHZTZCIGRTSU-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-methylpiperidin-1-yl)cyclobutyl]methyl]ethanamine
CID 81000100
N-[[2-(2-propylpiperidin-1-yl)cyclobutyl]methyl]propan-1-amine
CID 83061780
N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine
CID 80998653
2-(2-ethylpiperidin-1-yl)cyclododecan-1-amine
CID 43266440
2-(2-ethylpiperidin-1-yl)cyclohexan-1-amine
CID 43266460
2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine
CID 113441646
N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine
CID 104689498
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]ethanamine
CID 66523440
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutyl]methyl]ethanamine
CID 81004630
N-[[1-(4-ethylcyclohexyl)piperidin-2-yl]methyl]ethanamine
CID 64775306
trans-(1S,2S)-2-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 102731877
2-(2-ethylazepan-1-yl)-4-methylcyclohexan-1-amine
CID 113441638

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine (CID 104692327) is N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine is CCNCC1CCC1N1CCCCCC1CC.
What is the InChIKey of N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine?
The InChIKey is AOLHZTZCIGRTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-14-8-6-5-7-11-17(14)15-10-9-13(15)12-16-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine?
N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 104692327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).