N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine

C10H19N3 — CID 63974966

IUPACN,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
SMILESCCC(C)C(NC)c1nccn1C
InChIInChI=1S/C10H19N3/c1-5-8(2)9(11-3)10-12-6-7-13(10)4/h6-9,11H,5H2,1-4H3
InChIKeyBXVFSSWXCVZGKB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.73
Rot. Bonds4

About N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine

N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine (PubChem CID 63974966) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
PubChem CID63974966
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
SMILESCCC(C)C(NC)c1nccn1C
InChIInChI=1S/C10H19N3/c1-5-8(2)9(11-3)10-12-6-7-13(10)4/h6-9,11H,5H2,1-4H3
InChIKeyBXVFSSWXCVZGKB-UHFFFAOYSA-N
XLogP1.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
CID 63968362
2-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79616214
2-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 116718762
2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
CID 115860076
N-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79615862
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
1-methyl-2-pentan-3-ylimidazole
CID 89261277
2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 115859990
2-(1-methoxypropyl)-1-methylimidazole
CID 118061871
2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 116721352
1-(1-methylimidazol-2-yl)propane-1-thiol
CID 174522847
2-methyl-N-[1-(1-methylimidazol-2-yl)propyl]propan-1-amine
CID 115900547

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine?
The IUPAC name of N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine (CID 63974966) is N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine is CCC(C)C(NC)c1nccn1C.
What is the InChIKey of N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine?
The InChIKey is BXVFSSWXCVZGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-8(2)9(11-3)10-12-6-7-13(10)4/h6-9,11H,5H2,1-4H3.
What are the key properties of N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine?
N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 63974966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).