2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine

C9H17N3 — CID 79743993

IUPAC2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)Cc1nccn1C
InChIInChI=1S/C9H17N3/c1-4-9(2,10)7-8-11-5-6-12(8)3/h5-6H,4,7,10H2,1-3H3
InChIKeyAJTXZXAFQIROST-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.09
Rot. Bonds3

About 2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine

2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine (PubChem CID 79743993) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
PubChem CID79743993
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
SMILESCCC(C)(N)Cc1nccn1C
InChIInChI=1S/C9H17N3/c1-4-9(2,10)7-8-11-5-6-12(8)3/h5-6H,4,7,10H2,1-3H3
InChIKeyAJTXZXAFQIROST-UHFFFAOYSA-N
XLogP1.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 175409591
1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 79744904
3-ethyl-1-(1-methylimidazol-2-yl)pentan-3-amine
CID 114529364
(2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 122630481
2-[3,3-bis(chloromethyl)pentyl]-1-methylimidazole
CID 114532819
1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79744678
2-methyl-5-(1-methylimidazol-2-yl)pent-3-yn-2-amine
CID 79738719
4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol
CID 114865873
methanamine;1-methyl-2-propylimidazole
CID 164902083
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
CID 63015159
ethyl-[(1-methylimidazol-2-yl)methyl]azanium
CID 7147628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The IUPAC name of 2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine (CID 79743993) is 2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The canonical SMILES for 2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine is CCC(C)(N)Cc1nccn1C.
What is the InChIKey of 2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The InChIKey is AJTXZXAFQIROST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-4-9(2,10)7-8-11-5-6-12(8)3/h5-6H,4,7,10H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine?
2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 79743993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).