3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine

C12H23N3 — CID 63974740

IUPAC3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1nccn1C
InChIInChI=1S/C12H23N3/c1-5-6-13-11(9-10(2)3)12-14-7-8-15(12)4/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyLHGVRDCQUDEYQT-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.51
Rot. Bonds6

About 3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine

3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine (PubChem CID 63974740) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
PubChem CID63974740
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)c1nccn1C
InChIInChI=1S/C12H23N3/c1-5-6-13-11(9-10(2)3)12-14-7-8-15(12)4/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyLHGVRDCQUDEYQT-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65127541
3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105149514
2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 115859990
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
CID 115860076
N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63977288
2-methyl-N-[1-(1-methylimidazol-2-yl)propyl]propan-1-amine
CID 115900547
N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974744
N-[1-(1-methylimidazol-2-yl)-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066993
1-(1-methylimidazol-2-yl)-N-propyloct-7-en-1-amine
CID 107009559
N-[2-cyclohexylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65144641

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine (CID 63974740) is 3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine is CCCNC(CC(C)C)c1nccn1C.
What is the InChIKey of 3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine?
The InChIKey is LHGVRDCQUDEYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-6-13-11(9-10(2)3)12-14-7-8-15(12)4/h7-8,10-11,13H,5-6,9H2,1-4H3.
What are the key properties of 3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine?
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 63974740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).