2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine

C12H19N5 — CID 114702568

IUPAC2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1CCCn1ccnc1
InChIInChI=1S/C12H19N5/c1-12(2,13)11-8-15-10-17(11)6-3-5-16-7-4-14-9-16/h4,7-10H,3,5-6,13H2,1-2H3
InChIKeyLURYHQSXDXVZSG-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.36
Rot. Bonds5

About 2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine

2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine (PubChem CID 114702568) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine
PubChem CID114702568
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1CCCn1ccnc1
InChIInChI=1S/C12H19N5/c1-12(2,13)11-8-15-10-17(11)6-3-5-16-7-4-14-9-16/h4,7-10H,3,5-6,13H2,1-2H3
InChIKeyLURYHQSXDXVZSG-UHFFFAOYSA-N
XLogP1.36
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-methylsulfonylpropyl)imidazol-4-yl]propan-2-amine
CID 114704632
2-[3-[2-(triazol-1-yl)ethyl]imidazol-4-yl]propan-2-amine
CID 114707151
3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine
CID 121317661
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
4-[3-(4-imidazol-1-ylbutyl)imidazol-4-yl]-4-methylpiperidine
CID 114718896
1-(11,11-dimethyldodecyl)imidazole
CID 118887404
2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine
CID 114707859
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
N-ethyl-3-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]cyclopent-3-en-1-amine
CID 141424864
3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
sodium;1-butylimidazole;bromide
CID 175480877
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine
CID 114706508

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine (CID 114702568) is 2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine is CC(C)(N)c1cncn1CCCn1ccnc1.
What is the InChIKey of 2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine?
The InChIKey is LURYHQSXDXVZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-12(2,13)11-8-15-10-17(11)6-3-5-16-7-4-14-9-16/h4,7-10H,3,5-6,13H2,1-2H3.
What are the key properties of 2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine?
2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 114702568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).