[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine

C10H15N5 — CID 114707746

IUPAC[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine
SMILESNCc1cncn1CCCc1ncc[nH]1
InChIInChI=1S/C10H15N5/c11-6-9-7-12-8-15(9)5-1-2-10-13-3-4-14-10/h3-4,7-8H,1-2,5-6,11H2,(H,13,14)
InChIKeyLHSYGTLRHWARSF-UHFFFAOYSA-N
MW205.27 g/mol
LogP0.70
Rot. Bonds5

About [3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine

[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine (PubChem CID 114707746) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is [3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine
PubChem CID114707746
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine
SMILESNCc1cncn1CCCc1ncc[nH]1
InChIInChI=1S/C10H15N5/c11-6-9-7-12-8-15(9)5-1-2-10-13-3-4-14-10/h3-4,7-8H,1-2,5-6,11H2,(H,13,14)
InChIKeyLHSYGTLRHWARSF-UHFFFAOYSA-N
XLogP0.70
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]propan-1-amine
CID 104943977
4-[5-(aminomethyl)imidazol-1-yl]-N,N-dimethylbutan-1-amine
CID 66150121
[3-(2-fluoroethyl)imidazol-4-yl]methanamine;hydrochloride
CID 131637916
1-[3-[2-(1H-imidazol-2-yl)ethyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 114707899
4-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazolidine-3,5-dione
CID 107409796
hydron;1H-imidazol-2-ylmethanamine;dichloride
CID 44828734
[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine
CID 106009318
[3-(3-morpholin-4-ylpropyl)imidazol-4-yl]methanamine
CID 66147556
[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
CID 75530754
N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 66150137
2-butyl-1H-imidazole;hydrochloride
CID 141134528
[3-[(E)-pent-3-enyl]imidazol-4-yl]methanamine
CID 114707540

Frequently Asked Questions

What is the IUPAC name of [3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine?
The IUPAC name of [3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine (CID 114707746) is [3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine?
The canonical SMILES for [3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine is NCc1cncn1CCCc1ncc[nH]1.
What is the InChIKey of [3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine?
The InChIKey is LHSYGTLRHWARSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c11-6-9-7-12-8-15(9)5-1-2-10-13-3-4-14-10/h3-4,7-8H,1-2,5-6,11H2,(H,13,14).
What are the key properties of [3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine?
[3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine has a molecular weight of 205.27 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(1H-imidazol-2-yl)propyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 114707746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).