[3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine

C13H26N2O — CID 104689369

IUPAC[3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine
SMILESCCC1CCCCCN1C1(CN)CCOC1
InChIInChI=1S/C13H26N2O/c1-2-12-6-4-3-5-8-15(12)13(10-14)7-9-16-11-13/h12H,2-11,14H2,1H3
InChIKeyBMEXRRFHYATWPP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.76
Rot. Bonds3

About [3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine

[3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine (PubChem CID 104689369) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine
PubChem CID104689369
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine
SMILESCCC1CCCCCN1C1(CN)CCOC1
InChIInChI=1S/C13H26N2O/c1-2-12-6-4-3-5-8-15(12)13(10-14)7-9-16-11-13/h12H,2-11,14H2,1H3
InChIKeyBMEXRRFHYATWPP-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-ethylazepan-1-yl)thian-4-yl]methanamine
CID 104689235
[4-(2-ethylpiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 43266395
[1-(2-ethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63470394
[4-ethyl-1-(2-ethylpiperidin-1-yl)cycloheptyl]methanamine
CID 65088511
[1-(2-ethylpiperidin-1-yl)-3-methoxycyclobutyl]methanamine
CID 106821751
[3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)oxolan-3-yl]methanamine
CID 79931105
[1-(3-ethylmorpholin-4-yl)cycloheptyl]methanamine
CID 43613015
[8-(2-ethylpyrrolidin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818062
[3-(2-ethylpiperidin-1-yl)-1,1-dioxothian-3-yl]methanamine
CID 63921849
[1-(2-ethylpiperidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64758210
[1-(2-ethylpyrrolidin-1-yl)-3-methylcyclohexyl]methanamine
CID 60974436
[1-(2-ethylpiperidin-1-yl)-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107428917

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine?
The IUPAC name of [3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine (CID 104689369) is [3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine is CCC1CCCCCN1C1(CN)CCOC1.
What is the InChIKey of [3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine?
The InChIKey is BMEXRRFHYATWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-12-6-4-3-5-8-15(12)13(10-14)7-9-16-11-13/h12H,2-11,14H2,1H3.
What are the key properties of [3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine?
[3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine has a molecular weight of 226.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylazepan-1-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 104689369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).