N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine

C8H15N3 — CID 82903287

IUPACN-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
SMILESCCC(NC)c1cncn1C
InChIInChI=1S/C8H15N3/c1-4-7(9-2)8-5-10-6-11(8)3/h5-7,9H,4H2,1-3H3
InChIKeyAXBBSYPNUWWBLV-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.09
Rot. Bonds3

About N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine

N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine (PubChem CID 82903287) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
PubChem CID82903287
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
SMILESCCC(NC)c1cncn1C
InChIInChI=1S/C8H15N3/c1-4-7(9-2)8-5-10-6-11(8)3/h5-7,9H,4H2,1-3H3
InChIKeyAXBBSYPNUWWBLV-UHFFFAOYSA-N
XLogP1.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-2-(3-methylimidazol-4-yl)ethanol
CID 66117358
N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine
CID 82902583
3-(methylamino)-3-(3-methylimidazol-4-yl)propanoic acid
CID 66117786
N-methyl-1-(3-methylimidazol-4-yl)pent-4-yn-1-amine
CID 82903143
2-(4-fluorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82903436
1-N'-tert-butyl-1-N-[1-(3-methylimidazol-4-yl)propyl]ethene-1,1-diamine
CID 142278168
ethane;N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 143252273
N'-methyl-1-(3-methylimidazol-4-yl)methanediamine
CID 170132985
2-(2-bromophenyl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82901988
3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 82923031
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82903138
N-ethyl-4-methyl-1-(3-methylimidazol-4-yl)pentan-1-amine
CID 82903925

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine (CID 82903287) is N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine is CCC(NC)c1cncn1C.
What is the InChIKey of N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine?
The InChIKey is AXBBSYPNUWWBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-7(9-2)8-5-10-6-11(8)3/h5-7,9H,4H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine?
N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 82903287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).