1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine

C12H22N4 — CID 116652775

IUPAC1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine
SMILESCCn1ccnc1CN(C)C(CN)C1CC1
InChIInChI=1S/C12H22N4/c1-3-16-7-6-14-12(16)9-15(2)11(8-13)10-4-5-10/h6-7,10-11H,3-5,8-9,13H2,1-2H3
InChIKeyJYWYQLOJYAAZMU-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.07
Rot. Bonds6

About 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine

1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine (PubChem CID 116652775) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine
PubChem CID116652775
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine
SMILESCCn1ccnc1CN(C)C(CN)C1CC1
InChIInChI=1S/C12H22N4/c1-3-16-7-6-14-12(16)9-15(2)11(8-13)10-4-5-10/h6-7,10-11H,3-5,8-9,13H2,1-2H3
InChIKeyJYWYQLOJYAAZMU-UHFFFAOYSA-N
XLogP1.07
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 63015155
1-cyclopropyl-N-methyl-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 116653149
1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 116651532
1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 116651200
1-cyclopropyl-3-(1-ethylimidazol-2-yl)-1-hydroxypropan-2-one
CID 103455919
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanamine
CID 79761385
1-cyclopropyl-N-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 116652941
2-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)ethanamine
CID 79761126
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 79751359
N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653157
N-[(5-bromo-3-pyridinyl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651487
1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 116652940

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine (CID 116652775) is 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine is CCn1ccnc1CN(C)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is JYWYQLOJYAAZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-16-7-6-14-12(16)9-15(2)11(8-13)10-4-5-10/h6-7,10-11H,3-5,8-9,13H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine?
1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 116652775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).