2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine

C13H25N3 — CID 115860076

IUPAC2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(c1nccn1C)C(C)CCC
InChIInChI=1S/C13H25N3/c1-5-7-11(3)12(14-8-6-2)13-15-9-10-16(13)4/h9-12,14H,5-8H2,1-4H3
InChIKeyXATRGGOOURVUHT-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.90
Rot. Bonds7

About 2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine

2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine (PubChem CID 115860076) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
PubChem CID115860076
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(c1nccn1C)C(C)CCC
InChIInChI=1S/C13H25N3/c1-5-7-11(3)12(14-8-6-2)13-15-9-10-16(13)4/h9-12,14H,5-8H2,1-4H3
InChIKeyXATRGGOOURVUHT-UHFFFAOYSA-N
XLogP2.90
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 115859990
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81019534
N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 63974966
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105149514
2-(1-methylimidazol-2-yl)pentan-1-amine
CID 116834928
2-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 116718762
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65127541
2-(1-bromobutyl)-1-methylimidazole
CID 175381237
N-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79615862
1-(3-ethyl-1-methylpyrazol-4-yl)-2-methyl-N-propylpentan-1-amine
CID 107893651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine (CID 115860076) is 2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine is CCCNC(c1nccn1C)C(C)CCC.
What is the InChIKey of 2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine?
The InChIKey is XATRGGOOURVUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-7-11(3)12(14-8-6-2)13-15-9-10-16(13)4/h9-12,14H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine?
2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 115860076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).