N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine

C12H23N3 — CID 107974273

IUPACN-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine
SMILESCCCCCCC(NC)c1cn(C)cn1
InChIInChI=1S/C12H23N3/c1-4-5-6-7-8-11(13-2)12-9-15(3)10-14-12/h9-11,13H,4-8H2,1-3H3
InChIKeyDBHVKUCOCOURQD-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.65
Rot. Bonds7

About N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine

N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine (PubChem CID 107974273) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine
PubChem CID107974273
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine
SMILESCCCCCCC(NC)c1cn(C)cn1
InChIInChI=1S/C12H23N3/c1-4-5-6-7-8-11(13-2)12-9-15(3)10-14-12/h9-11,13H,4-8H2,1-3H3
InChIKeyDBHVKUCOCOURQD-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.65
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

N-methyl-1-(1-methylimidazol-4-yl)hexan-1-amine
CID 107974330
1-(1-methylimidazol-4-yl)undecylhydrazine
CID 107979020
4-dodecan-5-yl-1-methylimidazole
CID 138655717
N-methyl-1-(1-methylimidazol-4-yl)hex-5-en-1-amine
CID 107975594
1-(1-methylimidazol-4-yl)nonan-1-amine
CID 107974313
N-methyl-1-(1-methylpyrazol-3-yl)heptan-1-amine
CID 65200418
1-(1-methylimidazol-4-yl)-N-propyloct-7-en-1-amine
CID 114023315
N-methyl-1-pyrimidin-2-ylundecan-1-amine
CID 62600438
N-methyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124065
N-methyl-1-(3-methylimidazol-4-yl)decan-1-amine
CID 82902583
1-(5-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241
N-ethyl-4-methoxy-1-(1-methylimidazol-4-yl)butan-1-amine
CID 107977818

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine?
The IUPAC name of N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine (CID 107974273) is N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine.
What is the SMILES notation for N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine?
The canonical SMILES for N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine is CCCCCCC(NC)c1cn(C)cn1.
What is the InChIKey of N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine?
The InChIKey is DBHVKUCOCOURQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-5-6-7-8-11(13-2)12-9-15(3)10-14-12/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine?
N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylimidazol-4-yl)heptan-1-amine is sourced from PubChem (CID 107974273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).