N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine

C11H21N3 — CID 63198283

IUPACN,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
SMILESCNC(Cc1nccn1C)C(C)(C)C
InChIInChI=1S/C11H21N3/c1-11(2,3)9(12-4)8-10-13-6-7-14(10)5/h6-7,9,12H,8H2,1-5H3
InChIKeyYWMVDPAGBHYQQJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.60
Rot. Bonds3

About N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine

N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine (PubChem CID 63198283) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
PubChem CID63198283
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
SMILESCNC(Cc1nccn1C)C(C)(C)C
InChIInChI=1S/C11H21N3/c1-11(2,3)9(12-4)8-10-13-6-7-14(10)5/h6-7,9,12H,8H2,1-5H3
InChIKeyYWMVDPAGBHYQQJ-UHFFFAOYSA-N
XLogP1.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 116760949
N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine
CID 79761018
3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 115580390
2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine
CID 114530408
1-cyclopropyl-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 63352794
[4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105220503
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116758319
1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
CID 105009154
N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine
CID 114530416
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381
N-methyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-2-amine
CID 79752421
N-methyl-1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011656

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine (CID 63198283) is N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine is CNC(Cc1nccn1C)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine?
The InChIKey is YWMVDPAGBHYQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,3)9(12-4)8-10-13-6-7-14(10)5/h6-7,9,12H,8H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine?
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 63198283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).