N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine

C13H24N4O — CID 63015155

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(Cc1nccn1C)C(CN)C1CCOCC1
InChIInChI=1S/C13H24N4O/c1-16-6-5-15-13(16)10-17(2)12(9-14)11-3-7-18-8-4-11/h5-6,11-12H,3-4,7-10,14H2,1-2H3
InChIKeyXVRASONXWOTCMO-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.61
Rot. Bonds5

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 63015155) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID63015155
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(Cc1nccn1C)C(CN)C1CCOCC1
InChIInChI=1S/C13H24N4O/c1-16-6-5-15-13(16)10-17(2)12(9-14)11-3-7-18-8-4-11/h5-6,11-12H,3-4,7-10,14H2,1-2H3
InChIKeyXVRASONXWOTCMO-UHFFFAOYSA-N
XLogP0.61
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116652775
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxan-4-amine
CID 55149213
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 55261914
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62385960
1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 116651200
N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62385581
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 55066273
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63014800
3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 103226455
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-ethyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079451

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine (CID 63015155) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine is CN(Cc1nccn1C)C(CN)C1CCOCC1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is XVRASONXWOTCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-16-6-5-15-13(16)10-17(2)12(9-14)11-3-7-18-8-4-11/h5-6,11-12H,3-4,7-10,14H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 63015155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).