7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C18H34N2O — CID 114948331

IUPAC7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCC1CCCCCN1CC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C18H34N2O/c1-4-14-9-6-5-7-11-20(14)13-18(19)15-10-8-12-21-16(15)17(18,2)3/h14-16H,4-13,19H2,1-3H3
InChIKeyGJKRYUUKMNLZRS-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.17
Rot. Bonds3

About 7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 114948331) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID114948331
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCCC1CCCCCN1CC1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C18H34N2O/c1-4-14-9-6-5-7-11-20(14)13-18(19)15-10-8-12-21-16(15)17(18,2)3/h14-16H,4-13,19H2,1-3H3
InChIKeyGJKRYUUKMNLZRS-UHFFFAOYSA-N
XLogP3.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Related Compounds

7-[(3-ethylmorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947324
6-(azocan-1-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947214
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone
CID 114945287
7-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 104985317
7-[(2,2-dimethylthiomorpholin-4-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114948383
8,8-dimethyl-7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947205
1-[(2-ethylazepan-1-yl)methyl]cyclobutan-1-amine
CID 104690395
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947983
7-[[ethyl(propan-2-yl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947232
6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947307
6-[(2,4-dimethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947855
7-[[ethyl(2-methylprop-2-enyl)amino]methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 114947199

Frequently Asked Questions

What is the IUPAC name of 7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 114948331) is 7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CCC1CCCCCN1CC1(N)C2CCCOC2C1(C)C.
What is the InChIKey of 7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is GJKRYUUKMNLZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-14-9-6-5-7-11-20(14)13-18(19)15-10-8-12-21-16(15)17(18,2)3/h14-16H,4-13,19H2,1-3H3.
What are the key properties of 7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 294.48 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-ethylazepan-1-yl)methyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 114948331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).