4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine

C12H24N2O2 — CID 65378393

IUPAC4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine
SMILESCC1CC(CN)(NCC2CCCO2)CCO1
InChIInChI=1S/C12H24N2O2/c1-10-7-12(9-13,4-6-15-10)14-8-11-3-2-5-16-11/h10-11,14H,2-9,13H2,1H3
InChIKeyDKZHDJKSHZNZAO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.65
Rot. Bonds4

About 4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine

4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine (PubChem CID 65378393) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine
PubChem CID65378393
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine
SMILESCC1CC(CN)(NCC2CCCO2)CCO1
InChIInChI=1S/C12H24N2O2/c1-10-7-12(9-13,4-6-15-10)14-8-11-3-2-5-16-11/h10-11,14H,2-9,13H2,1H3
InChIKeyDKZHDJKSHZNZAO-UHFFFAOYSA-N
XLogP0.65
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine (CID 65378393) is 4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine is CC1CC(CN)(NCC2CCCO2)CCO1.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
The InChIKey is DKZHDJKSHZNZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-7-12(9-13,4-6-15-10)14-8-11-3-2-5-16-11/h10-11,14H,2-9,13H2,1H3.
What are the key properties of 4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine?
4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine has a molecular weight of 228.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-N-(oxolan-2-ylmethyl)oxan-4-amine is sourced from PubChem (CID 65378393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).