3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine

C15H29N3 — CID 114531574

IUPAC3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(CCc1nccn1C)C(C)(C)C
InChIInChI=1S/C15H29N3/c1-12(2)17-11-13(15(3,4)5)7-8-14-16-9-10-18(14)6/h9-10,12-13,17H,7-8,11H2,1-6H3
InChIKeyFFXGRCJNCLWZGV-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.01
Rot. Bonds6

About 3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine

3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine (PubChem CID 114531574) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine
PubChem CID114531574
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(CCc1nccn1C)C(C)(C)C
InChIInChI=1S/C15H29N3/c1-12(2)17-11-13(15(3,4)5)7-8-14-16-9-10-18(14)6/h9-10,12-13,17H,7-8,11H2,1-6H3
InChIKeyFFXGRCJNCLWZGV-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methylimidazol-2-yl)-1-(propan-2-ylamino)butan-2-ol
CID 114532622
5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine
CID 114532105
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-ol
CID 115838049
[5,6,6-trimethyl-1-(1-methylimidazol-2-yl)heptan-3-yl]hydrazine
CID 105340442
3,3-dimethyl-4-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81021659
N-ethyl-2,3-dimethyl-5-(1-methylimidazol-2-yl)pentan-1-amine
CID 114532985
N-tert-butyl-2-cyclopentyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114531599
4-ethoxy-N-ethyl-5,5-dimethyl-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530763
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
(2S)-1-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
CID 58012713
N-ethyl-2-methyl-5-(1-methylimidazol-2-yl)-1-methylsulfanylpentan-3-amine
CID 114222061

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine (CID 114531574) is 3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine is CC(C)NCC(CCc1nccn1C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is FFXGRCJNCLWZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12(2)17-11-13(15(3,4)5)7-8-14-16-9-10-18(14)6/h9-10,12-13,17H,7-8,11H2,1-6H3.
What are the key properties of 3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine?
3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 114531574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).