3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine

C13H26N2O2 — CID 55203276

IUPAC3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine
SMILESCOCCN(C(C)C1CC1)C1(CN)CCOC1
InChIInChI=1S/C13H26N2O2/c1-11(12-3-4-12)15(6-8-16-2)13(9-14)5-7-17-10-13/h11-12H,3-10,14H2,1-2H3
InChIKeyYHYHHQIABWICJP-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds7

About 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine

3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine (PubChem CID 55203276) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine
PubChem CID55203276
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine
SMILESCOCCN(C(C)C1CC1)C1(CN)CCOC1
InChIInChI=1S/C13H26N2O2/c1-11(12-3-4-12)15(6-8-16-2)13(9-14)5-7-17-10-13/h11-12H,3-10,14H2,1-2H3
InChIKeyYHYHHQIABWICJP-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine
CID 65079502
3-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-yloxolan-3-amine
CID 82948464
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449048
1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine
CID 65088127
3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine
CID 79950108
4-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]oxan-4-amine
CID 113280948
3-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)oxolan-3-amine
CID 63335231
1-(aminomethyl)-N-(2-methoxyethyl)-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 107449206
3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine
CID 63335549
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562700
6-(aminomethyl)-N-methyl-N-propan-2-yl-1,4-dioxepan-6-amine
CID 130559595
3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine
CID 82948380

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine (CID 55203276) is 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine is COCCN(C(C)C1CC1)C1(CN)CCOC1.
What is the InChIKey of 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine?
The InChIKey is YHYHHQIABWICJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(12-3-4-12)15(6-8-16-2)13(9-14)5-7-17-10-13/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine?
3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine has a molecular weight of 242.36 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine is sourced from PubChem (CID 55203276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).