1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine

C12H22N4 — CID 66141826

IUPAC1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1cncn1C1CC1
InChIInChI=1S/C12H22N4/c1-3-15(4-2)11(7-13)12-8-14-9-16(12)10-5-6-10/h8-11H,3-7,13H2,1-2H3
InChIKeyOQVHOYWKRQYTOR-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.56
Rot. Bonds6

About 1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine

1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine (PubChem CID 66141826) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine
PubChem CID66141826
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1cncn1C1CC1
InChIInChI=1S/C12H22N4/c1-3-15(4-2)11(7-13)12-8-14-9-16(12)10-5-6-10/h8-11H,3-7,13H2,1-2H3
InChIKeyOQVHOYWKRQYTOR-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclopropylimidazol-4-yl)-3-(diethylamino)propanoic acid
CID 66142290
N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66140216
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658268
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 66142037
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 66140417
1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
CID 66140814
ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
CID 66139484
1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 66142235
N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131396
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 66142234
1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
CID 66141019
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine (CID 66141826) is 1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine is CCN(CC)C(CN)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine?
The InChIKey is OQVHOYWKRQYTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-15(4-2)11(7-13)12-8-14-9-16(12)10-5-6-10/h8-11H,3-7,13H2,1-2H3.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine?
1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 66141826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).