3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine

C13H26N4 — CID 106040180

IUPAC3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
SMILESCCNCc1cncn1CCCN(C)C(C)C
InChIInChI=1S/C13H26N4/c1-5-14-9-13-10-15-11-17(13)8-6-7-16(4)12(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyOLDGTUDGDQTASZ-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.72
Rot. Bonds8

About 3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine

3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 106040180) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
PubChem CID106040180
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
SMILESCCNCc1cncn1CCCN(C)C(C)C
InChIInChI=1S/C13H26N4/c1-5-14-9-13-10-15-11-17(13)8-6-7-16(4)12(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyOLDGTUDGDQTASZ-UHFFFAOYSA-N
XLogP1.72
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
CID 66151168
N-methyl-4-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propan-2-ylbutan-1-amine
CID 66150962
N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66131380
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine
CID 66149891
N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 63001825
N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 102701714
N-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 66150137
N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66146061
2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146319
N'-butan-2-yl-N-[(3-ethylimidazol-4-yl)methyl]-N'-methylethane-1,2-diamine
CID 114132517
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979

Frequently Asked Questions

What is the IUPAC name of 3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine (CID 106040180) is 3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine is CCNCc1cncn1CCCN(C)C(C)C.
What is the InChIKey of 3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is OLDGTUDGDQTASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-14-9-13-10-15-11-17(13)8-6-7-16(4)12(2)3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine?
3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 106040180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).