[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine

C11H15N5 — CID 106717969

IUPAC[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine
SMILESNCc1cn(Cc2cncn2C2CC2)cn1
InChIInChI=1S/C11H15N5/c12-3-9-5-15(8-14-9)6-11-4-13-7-16(11)10-1-2-10/h4-5,7-8,10H,1-3,6,12H2
InChIKeyAACNPFYVYVBCHF-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.92
Rot. Bonds4

About [1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine

[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine (PubChem CID 106717969) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is [1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine
PubChem CID106717969
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine
SMILESNCc1cn(Cc2cncn2C2CC2)cn1
InChIInChI=1S/C11H15N5/c12-3-9-5-15(8-14-9)6-11-4-13-7-16(11)10-1-2-10/h4-5,7-8,10H,1-3,6,12H2
InChIKeyAACNPFYVYVBCHF-UHFFFAOYSA-N
XLogP0.92
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine (CID 106717969) is [1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine is NCc1cn(Cc2cncn2C2CC2)cn1.
What is the InChIKey of [1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine?
The InChIKey is AACNPFYVYVBCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c12-3-9-5-15(8-14-9)6-11-4-13-7-16(11)10-1-2-10/h4-5,7-8,10H,1-3,6,12H2.
What are the key properties of [1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine?
[1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine has a molecular weight of 217.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-cyclopropylimidazol-4-yl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 106717969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).