N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride

C11H20ClN3 — CID 115664709

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
SMILESCCCC1CC1NCc1nccn1C.Cl
InChIInChI=1S/C11H19N3.ClH/c1-3-4-9-7-10(9)13-8-11-12-5-6-14(11)2;/h5-6,9-10,13H,3-4,7-8H2,1-2H3;1H
InChIKeyCQOGSTNLEWOVMT-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.12
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride

N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride (PubChem CID 115664709) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
PubChem CID115664709
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride
SMILESCCCC1CC1NCc1nccn1C.Cl
InChIInChI=1S/C11H19N3.ClH/c1-3-4-9-7-10(9)13-8-11-12-5-6-14(11)2;/h5-6,9-10,13H,3-4,7-8H2,1-2H3;1H
InChIKeyCQOGSTNLEWOVMT-UHFFFAOYSA-N
XLogP2.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61466819
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
3-ethoxy-2-methoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 113364995
3-ethoxy-N-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 112553123
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 43088207
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78928226
N-[[2-[(1-methylimidazol-2-yl)methyl]-4-propylcyclohexyl]methyl]propan-2-amine
CID 81025279
4-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61470208
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701192
4-methyl-N-[(1-methylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 65080394
2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
CID 114528631
N-[(1-ethylpyrrol-3-yl)methyl]-2-propylcyclopropan-1-amine
CID 103270528

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride (CID 115664709) is N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride is CCCC1CC1NCc1nccn1C.Cl.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride?
The InChIKey is CQOGSTNLEWOVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.ClH/c1-3-4-9-7-10(9)13-8-11-12-5-6-14(11)2;/h5-6,9-10,13H,3-4,7-8H2,1-2H3;1H.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride?
N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-propylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 115664709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).