N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine

C15H30N2O — CID 113441647

IUPACN-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine
SMILESCCNC1CCOCC1N1CCCCCC1CC
InChIInChI=1S/C15H30N2O/c1-3-13-8-6-5-7-10-17(13)15-12-18-11-9-14(15)16-4-2/h13-16H,3-12H2,1-2H3
InChIKeyRLKVZDSAFGQKJF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds4

About N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine

N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine (PubChem CID 113441647) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine
PubChem CID113441647
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine
SMILESCCNC1CCOCC1N1CCCCCC1CC
InChIInChI=1S/C15H30N2O/c1-3-13-8-6-5-7-10-17(13)15-12-18-11-9-14(15)16-4-2/h13-16H,3-12H2,1-2H3
InChIKeyRLKVZDSAFGQKJF-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-diethyl-2-(2-ethylazepan-1-yl)cyclohexan-1-amine
CID 104689498
N-ethyl-3-[(2-ethylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058730
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-propyloxan-4-amine
CID 62886977
2-(2-ethylazepan-1-yl)-N-propylcyclohexan-1-amine
CID 104689600
2-(2-ethylazepan-1-yl)-N-methylcycloheptan-1-amine
CID 113441646
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyloxan-4-amine
CID 63150384
N-ethyl-6-(2-ethylazepan-1-yl)-2,2-dimethylcyclohexan-1-amine
CID 104689520
N-ethyl-3-[(2-methylazepan-1-yl)methyl]oxan-4-amine
CID 103060277
3-(2-propylpiperidin-1-yl)oxan-4-amine
CID 83053463
N-ethyl-5-(2-ethylpiperidin-1-yl)-2,2-dimethylcyclopentan-1-amine
CID 79864032
N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine
CID 104692327
2-(2-ethylpiperidin-1-yl)cyclododecan-1-amine
CID 43266440

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine?
The IUPAC name of N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine (CID 113441647) is N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine.
What is the SMILES notation for N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine?
The canonical SMILES for N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine is CCNC1CCOCC1N1CCCCCC1CC.
What is the InChIKey of N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine?
The InChIKey is RLKVZDSAFGQKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-13-8-6-5-7-10-17(13)15-12-18-11-9-14(15)16-4-2/h13-16H,3-12H2,1-2H3.
What are the key properties of N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine?
N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-ethylazepan-1-yl)oxan-4-amine is sourced from PubChem (CID 113441647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).