3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine

C7H14N4 — CID 22084622

IUPAC3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine
SMILESCNCC(N)Cc1cnc[nH]1
InChIInChI=1S/C7H14N4/c1-9-3-6(8)2-7-4-10-5-11-7/h4-6,9H,2-3,8H2,1H3,(H,10,11)
InChIKeyFVJOWIKGFKFGMP-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.50
Rot. Bonds4

About 3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine

3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine (PubChem CID 22084622) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine
PubChem CID22084622
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine
SMILESCNCC(N)Cc1cnc[nH]1
InChIInChI=1S/C7H14N4/c1-9-3-6(8)2-7-4-10-5-11-7/h4-6,9H,2-3,8H2,1H3,(H,10,11)
InChIKeyFVJOWIKGFKFGMP-UHFFFAOYSA-N
XLogP-0.50
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-imidazol-5-yl)pentan-2-amine
CID 84752942
1-chloro-3-(1H-imidazol-5-yl)propan-2-amine;dihydrochloride
CID 19812378
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
3-amino-4-(1H-imidazol-5-yl)butan-2-ol
CID 123261764
(2S)-1-(1H-imidazol-5-yl)-3-methylbut-3-en-2-amine
CID 126613398
(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol
CID 153098059
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
[3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl] 3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 175257691
methyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 7020801
3-amino-4-(1H-imidazol-5-yl)butan-2-one;ethane
CID 177242295
3-amino-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
CID 45260587

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine (CID 22084622) is 3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine is CNCC(N)Cc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine?
The InChIKey is FVJOWIKGFKFGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-9-3-6(8)2-7-4-10-5-11-7/h4-6,9H,2-3,8H2,1H3,(H,10,11).
What are the key properties of 3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine?
3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine has a molecular weight of 154.22 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 22084622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).