4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine

C10H22N2O — CID 66235500

IUPAC4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine
SMILESCCC(C)N(C)CC1COCC1N
InChIInChI=1S/C10H22N2O/c1-4-8(2)12(3)5-9-6-13-7-10(9)11/h8-10H,4-7,11H2,1-3H3
InChIKeyVKDHQZLKDALQKN-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.69
Rot. Bonds4

About 4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine

4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine (PubChem CID 66235500) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine
PubChem CID66235500
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine
SMILESCCC(C)N(C)CC1COCC1N
InChIInChI=1S/C10H22N2O/c1-4-8(2)12(3)5-9-6-13-7-10(9)11/h8-10H,4-7,11H2,1-3H3
InChIKeyVKDHQZLKDALQKN-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine (CID 66235500) is 4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine is CCC(C)N(C)CC1COCC1N.
What is the InChIKey of 4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine?
The InChIKey is VKDHQZLKDALQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-8(2)12(3)5-9-6-13-7-10(9)11/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine?
4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine has a molecular weight of 186.30 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butan-2-yl(methyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66235500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).