N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride

C8H17Cl2N3 — CID 47000755

IUPACN-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride
SMILESCNCCCc1nccn1C.Cl.Cl
InChIInChI=1S/C8H15N3.2ClH/c1-9-5-3-4-8-10-6-7-11(8)2;;/h6-7,9H,3-5H2,1-2H3;2*1H
InChIKeyVWNIZJWAHDKRIH-UHFFFAOYSA-N
MW226.15 g/mol
LogP1.42
Rot. Bonds4

About N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride

N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride (PubChem CID 47000755) has the molecular formula C8H17Cl2N3 and a molecular weight of 226.15 g/mol. Its IUPAC name is N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride
PubChem CID47000755
Molecular FormulaC8H17Cl2N3
Molecular Weight226.15 g/mol
Exact Mass225.08
IUPAC NameN-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride
SMILESCNCCCc1nccn1C.Cl.Cl
InChIInChI=1S/C8H15N3.2ClH/c1-9-5-3-4-8-10-6-7-11(8)2;;/h6-7,9H,3-5H2,1-2H3;2*1H
InChIKeyVWNIZJWAHDKRIH-UHFFFAOYSA-N
XLogP1.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride?
The IUPAC name of N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride (CID 47000755) is N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride is CNCCCc1nccn1C.Cl.Cl.
What is the InChIKey of N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride?
The InChIKey is VWNIZJWAHDKRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.2ClH/c1-9-5-3-4-8-10-6-7-11(8)2;;/h6-7,9H,3-5H2,1-2H3;2*1H.
What are the key properties of N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride?
N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride has a molecular weight of 226.15 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 47000755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).