4-imidazol-1-yl-N-methylpentan-1-amine

C9H17N3 — CID 62446813

IUPAC4-imidazol-1-yl-N-methylpentan-1-amine
SMILESCNCCCC(C)n1ccnc1
InChIInChI=1S/C9H17N3/c1-9(4-3-5-10-2)12-7-6-11-8-12/h6-10H,3-5H2,1-2H3
InChIKeyMJGGSVZIVLYMAT-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.44
Rot. Bonds5

About 4-imidazol-1-yl-N-methylpentan-1-amine

4-imidazol-1-yl-N-methylpentan-1-amine (PubChem CID 62446813) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-methylpentan-1-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-N-methylpentan-1-amine
PubChem CID62446813
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-imidazol-1-yl-N-methylpentan-1-amine
SMILESCNCCCC(C)n1ccnc1
InChIInChI=1S/C9H17N3/c1-9(4-3-5-10-2)12-7-6-11-8-12/h6-10H,3-5H2,1-2H3
InChIKeyMJGGSVZIVLYMAT-UHFFFAOYSA-N
XLogP1.44
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6,10-dimethylundecan-2-yl)imidazole
CID 20528534
1-(5-imidazol-1-ylpentan-2-yl)imidazole
CID 174937181
fluoromethane;1-heptan-2-ylimidazole
CID 174715360
carbonic acid;1-nonan-2-ylimidazole
CID 175092771
formic acid;1-octan-2-ylimidazole
CID 175596795
2-imidazol-1-yl-N-propylpropan-1-amine
CID 62449251
1-(4,4-dimethylpentan-2-yl)imidazole
CID 118984043
1-[(2S)-1-butoxypropan-2-yl]imidazole
CID 101426266
(3R)-3-imidazol-1-ylbutanoic acid
CID 683521
1-butan-2-ylimidazole;methyl hydrogen carbonate
CID 174740697
5-imidazol-1-ylhexan-3-amine
CID 122542899
1-(1-chloroethyl)imidazole
CID 22400425

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-methylpentan-1-amine?
The IUPAC name of 4-imidazol-1-yl-N-methylpentan-1-amine (CID 62446813) is 4-imidazol-1-yl-N-methylpentan-1-amine.
What is the SMILES notation for 4-imidazol-1-yl-N-methylpentan-1-amine?
The canonical SMILES for 4-imidazol-1-yl-N-methylpentan-1-amine is CNCCCC(C)n1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-N-methylpentan-1-amine?
The InChIKey is MJGGSVZIVLYMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-9(4-3-5-10-2)12-7-6-11-8-12/h6-10H,3-5H2,1-2H3.
What are the key properties of 4-imidazol-1-yl-N-methylpentan-1-amine?
4-imidazol-1-yl-N-methylpentan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-methylpentan-1-amine is sourced from PubChem (CID 62446813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).