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

C11H20N4 — CID 66141019

IUPAC1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN)c1cncn1C1CC1
InChIInChI=1S/C11H20N4/c1-2-5-14-10(6-12)11-7-13-8-15(11)9-3-4-9/h7-10,14H,2-6,12H2,1H3
InChIKeyLRHKXVJYBYEZHU-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.22
Rot. Bonds6

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

1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine (PubChem CID 66141019) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
PubChem CID66141019
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
SMILESCCCNC(CN)c1cncn1C1CC1
InChIInChI=1S/C11H20N4/c1-2-5-14-10(6-12)11-7-13-8-15(11)9-3-4-9/h7-10,14H,2-6,12H2,1H3
InChIKeyLRHKXVJYBYEZHU-UHFFFAOYSA-N
XLogP1.22
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopropylimidazol-4-yl)-2-(propylamino)ethanol
CID 66141261
N-(2-cyclobutylethyl)-1-(3-cyclopropylimidazol-4-yl)ethane-1,2-diamine
CID 113478732
1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine
CID 83014002
1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine
CID 66141826
3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine
CID 107444389
2-(aminomethyl)-3-(3-cyclopropylimidazol-4-yl)-N-propylpropanamide
CID 66163689
N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66140216
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789
3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
CID 79126295
ethyl 2-(3-cyclopropylimidazol-4-yl)-2-[2-(dimethylamino)ethylamino]acetate
CID 66140830
1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66133270
3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine
CID 107444106

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine (CID 66141019) is 1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine is CCCNC(CN)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine?
The InChIKey is LRHKXVJYBYEZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-5-14-10(6-12)11-7-13-8-15(11)9-3-4-9/h7-10,14H,2-6,12H2,1H3.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine?
1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 66141019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).