1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride

C11H21Cl2N3 — CID 126965265

IUPAC1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride
SMILESCCn1cc(C)nc1CNCC1CC1.Cl.Cl
InChIInChI=1S/C11H19N3.2ClH/c1-3-14-8-9(2)13-11(14)7-12-6-10-4-5-10;;/h8,10,12H,3-7H2,1-2H3;2*1H
InChIKeyRPPGKYKVCRMKBT-UHFFFAOYSA-N
MW266.22 g/mol
LogP2.55
Rot. Bonds5

About 1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride

1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride (PubChem CID 126965265) has the molecular formula C11H21Cl2N3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride
PubChem CID126965265
Molecular FormulaC11H21Cl2N3
Molecular Weight266.22 g/mol
Exact Mass265.11
IUPAC Name1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride
SMILESCCn1cc(C)nc1CNCC1CC1.Cl.Cl
InChIInChI=1S/C11H19N3.2ClH/c1-3-14-8-9(2)13-11(14)7-12-6-10-4-5-10;;/h8,10,12H,3-7H2,1-2H3;2*1H
InChIKeyRPPGKYKVCRMKBT-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride?
The IUPAC name of 1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride (CID 126965265) is 1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride.
What is the SMILES notation for 1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride?
The canonical SMILES for 1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride is CCn1cc(C)nc1CNCC1CC1.Cl.Cl.
What is the InChIKey of 1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride?
The InChIKey is RPPGKYKVCRMKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.2ClH/c1-3-14-8-9(2)13-11(14)7-12-6-10-4-5-10;;/h8,10,12H,3-7H2,1-2H3;2*1H.
What are the key properties of 1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride?
1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride has a molecular weight of 266.22 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1-ethyl-4-methylimidazol-2-yl)methyl]methanamine;dihydrochloride is sourced from PubChem (CID 126965265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).