2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine

C11H21N3 — CID 64570643

IUPAC2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
SMILESCC(C)C(C)CNCc1nccn1C
InChIInChI=1S/C11H21N3/c1-9(2)10(3)7-12-8-11-13-5-6-14(11)4/h5-6,9-10,12H,7-8H2,1-4H3
InChIKeyKWQFXNWTOKCBCW-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds5

About 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine

2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine (PubChem CID 64570643) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
PubChem CID64570643
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
SMILESCC(C)C(C)CNCc1nccn1C
InChIInChI=1S/C11H21N3/c1-9(2)10(3)7-12-8-11-13-5-6-14(11)4/h5-6,9-10,12H,7-8H2,1-4H3
InChIKeyKWQFXNWTOKCBCW-UHFFFAOYSA-N
XLogP1.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 115644645
3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 62350137
1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 103731677
methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
CID 63295782
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
N-[(1-methylimidazol-2-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352515
N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
CID 114532985
3,3,3-trifluoro-N'-hydroxy-2-[[(1-methylimidazol-2-yl)methylamino]methyl]propanimidamide
CID 103369725
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
(2S)-1-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
CID 58012713
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine (CID 64570643) is 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine is CC(C)C(C)CNCc1nccn1C.
What is the InChIKey of 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine?
The InChIKey is KWQFXNWTOKCBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)10(3)7-12-8-11-13-5-6-14(11)4/h5-6,9-10,12H,7-8H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine?
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 64570643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).