4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine

C14H28N2O2 — CID 55004207

IUPAC4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine
SMILESCOCCN(C(C)C1CC1)C1(CN)CCOCC1
InChIInChI=1S/C14H28N2O2/c1-12(13-3-4-13)16(7-10-17-2)14(11-15)5-8-18-9-6-14/h12-13H,3-11,15H2,1-2H3
InChIKeyLADBFWJISINOBE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.24
Rot. Bonds7

About 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine

4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine (PubChem CID 55004207) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine
PubChem CID55004207
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine
SMILESCOCCN(C(C)C1CC1)C1(CN)CCOCC1
InChIInChI=1S/C14H28N2O2/c1-12(13-3-4-13)16(7-10-17-2)14(11-15)5-8-18-9-6-14/h12-13H,3-11,15H2,1-2H3
InChIKeyLADBFWJISINOBE-UHFFFAOYSA-N
XLogP1.24
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine (CID 55004207) is 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine is COCCN(C(C)C1CC1)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine?
The InChIKey is LADBFWJISINOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(13-3-4-13)16(7-10-17-2)14(11-15)5-8-18-9-6-14/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine?
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine has a molecular weight of 256.39 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxan-4-amine is sourced from PubChem (CID 55004207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).