(1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride

C7H17Cl2N3 — CID 126824915

IUPAC(1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride
SMILESCC(C)N1CCN=C1CN.Cl.Cl
InChIInChI=1S/C7H15N3.2ClH/c1-6(2)10-4-3-9-7(10)5-8;;/h6H,3-5,8H2,1-2H3;2*1H
InChIKeyJSLKWGACSLNDLN-UHFFFAOYSA-N
MW214.14 g/mol
LogP0.91
Rot. Bonds2

About (1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride

(1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride (PubChem CID 126824915) has the molecular formula C7H17Cl2N3 and a molecular weight of 214.14 g/mol. Its IUPAC name is (1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride
PubChem CID126824915
Molecular FormulaC7H17Cl2N3
Molecular Weight214.14 g/mol
Exact Mass213.08
IUPAC Name(1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride
SMILESCC(C)N1CCN=C1CN.Cl.Cl
InChIInChI=1S/C7H15N3.2ClH/c1-6(2)10-4-3-9-7(10)5-8;;/h6H,3-5,8H2,1-2H3;2*1H
InChIKeyJSLKWGACSLNDLN-UHFFFAOYSA-N
XLogP0.91
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride?
The IUPAC name of (1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride (CID 126824915) is (1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for (1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride?
The canonical SMILES for (1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride is CC(C)N1CCN=C1CN.Cl.Cl.
What is the InChIKey of (1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride?
The InChIKey is JSLKWGACSLNDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3.2ClH/c1-6(2)10-4-3-9-7(10)5-8;;/h6H,3-5,8H2,1-2H3;2*1H.
What are the key properties of (1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride?
(1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride has a molecular weight of 214.14 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-yl-4,5-dihydroimidazol-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 126824915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).