N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine

C18H36N2O — CID 104691962

IUPACN-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCCCN1CC1(CNCC(C)C)CCOC1
InChIInChI=1S/C18H36N2O/c1-4-17-8-6-5-7-10-20(17)14-18(9-11-21-15-18)13-19-12-16(2)3/h16-17,19H,4-15H2,1-3H3
InChIKeyLSVXFIDZZYBQJQ-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds7

About N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine

N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 104691962) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID104691962
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC NameN-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCCCN1CC1(CNCC(C)C)CCOC1
InChIInChI=1S/C18H36N2O/c1-4-17-8-6-5-7-10-20(17)14-18(9-11-21-15-18)13-19-12-16(2)3/h16-17,19H,4-15H2,1-3H3
InChIKeyLSVXFIDZZYBQJQ-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2-ethylazepan-1-yl)methyl]oxan-3-yl]-N-methylmethanamine
CID 104691941
N-[[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62258812
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62278171
N-[[4-[(3-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62392364
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 55242233
2-methyl-N-[[3-[(2-methylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]propan-1-amine
CID 63740980
N-[[3-[(2-ethylpiperidin-1-yl)methyl]oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 63739412
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 62263729
[3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol
CID 111976477
N-[[3-[(2-methylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55051462
1-[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62392836
1-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]piperidin-3-ol
CID 62261044

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine (CID 104691962) is N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine is CCC1CCCCCN1CC1(CNCC(C)C)CCOC1.
What is the InChIKey of N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is LSVXFIDZZYBQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-4-17-8-6-5-7-10-20(17)14-18(9-11-21-15-18)13-19-12-16(2)3/h16-17,19H,4-15H2,1-3H3.
What are the key properties of N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-ethylazepan-1-yl)methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104691962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).