4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine

C12H22N4O — CID 55149213

IUPAC4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
SMILESCN(Cc1nccn1C)C1(CN)CCOCC1
InChIInChI=1S/C12H22N4O/c1-15-6-5-14-11(15)9-16(2)12(10-13)3-7-17-8-4-12/h5-6H,3-4,7-10,13H2,1-2H3
InChIKeyYQCKUJNOTBSSDR-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.36
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine

4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine (PubChem CID 55149213) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
PubChem CID55149213
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
SMILESCN(Cc1nccn1C)C1(CN)CCOCC1
InChIInChI=1S/C12H22N4O/c1-15-6-5-14-11(15)9-16(2)12(10-13)3-7-17-8-4-12/h5-6H,3-4,7-10,13H2,1-2H3
InChIKeyYQCKUJNOTBSSDR-UHFFFAOYSA-N
XLogP0.36
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63014800
4-(aminomethyl)-N,1-dimethyl-N-[(1-methylimidazol-2-yl)methyl]azepan-4-amine
CID 65074993
1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65088232
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxane-4-carboxamide
CID 63013244
4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113344645
3-(aminomethyl)-N,1,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 81467993
3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63923451
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107449098
1-(aminomethyl)-N,4-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 114527361
1-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 65045219
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 63015155
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine (CID 55149213) is 4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine is CN(Cc1nccn1C)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine?
The InChIKey is YQCKUJNOTBSSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-15-6-5-14-11(15)9-16(2)12(10-13)3-7-17-8-4-12/h5-6H,3-4,7-10,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine?
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine has a molecular weight of 238.33 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine is sourced from PubChem (CID 55149213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).