N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C13H23N3 — CID 79352515

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCn1ccnc1CNCC1C(C)(C)C1(C)C
InChIInChI=1S/C13H23N3/c1-12(2)10(13(12,3)4)8-14-9-11-15-6-7-16(11)5/h6-7,10,14H,8-9H2,1-5H3
InChIKeyCOAHOESTSYFXJU-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.19
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 79352515) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID79352515
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCn1ccnc1CNCC1C(C)(C)C1(C)C
InChIInChI=1S/C13H23N3/c1-12(2)10(13(12,3)4)8-14-9-11-15-6-7-16(11)5/h6-7,10,14H,8-9H2,1-5H3
InChIKeyCOAHOESTSYFXJU-UHFFFAOYSA-N
XLogP2.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
1-(1,4-dithian-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115685248
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776
1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 115630443
N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115608318
1-(1-methylimidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103738791
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237108
2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 79354937

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 79352515) is N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is Cn1ccnc1CNCC1C(C)(C)C1(C)C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is COAHOESTSYFXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12(2)10(13(12,3)4)8-14-9-11-15-6-7-16(11)5/h6-7,10,14H,8-9H2,1-5H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 221.35 g/mol, XLogP of 2.19, 4 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]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 79352515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).