N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine

C13H25N3 — CID 115888361

IUPACN-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine
SMILESCc1ncn(CC(C)NCCC(C)C)c1C
InChIInChI=1S/C13H25N3/c1-10(2)6-7-14-11(3)8-16-9-15-12(4)13(16)5/h9-11,14H,6-8H2,1-5H3
InChIKeyFTEJRMGLVFGWQW-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.52
Rot. Bonds6

About N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine

N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine (PubChem CID 115888361) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine
PubChem CID115888361
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine
SMILESCc1ncn(CC(C)NCCC(C)C)c1C
InChIInChI=1S/C13H25N3/c1-10(2)6-7-14-11(3)8-16-9-15-12(4)13(16)5/h9-11,14H,6-8H2,1-5H3
InChIKeyFTEJRMGLVFGWQW-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]butan-1-amine
CID 115888352
1-(4,5-dimethylimidazol-1-yl)propan-2-ylhydrazine
CID 130987277
3-[1-(4,5-dimethylimidazol-1-yl)propan-2-ylamino]-2-methylpropan-1-ol
CID 115888422
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-2-amine
CID 62566039
N-(cyclobutylmethyl)-1-(4,5-dimethylimidazol-1-yl)propan-2-amine
CID 115888436
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]butan-2-amine
CID 62565072
(2S)-N-[(2S)-1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-amine
CID 97159520
5-iodo-6-methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 66343138
1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine
CID 62350364
3-(4,5-dimethylimidazol-1-yl)-2-(propylamino)propanoic acid
CID 62350091
6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine
CID 62350906
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-4-methylsulfanylpentan-2-amine
CID 131911968

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine?
The IUPAC name of N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine (CID 115888361) is N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine is Cc1ncn(CC(C)NCCC(C)C)c1C.
What is the InChIKey of N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine?
The InChIKey is FTEJRMGLVFGWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-10(2)6-7-14-11(3)8-16-9-15-12(4)13(16)5/h9-11,14H,6-8H2,1-5H3.
What are the key properties of N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine?
N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethylimidazol-1-yl)propan-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 115888361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).