N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine

C12H24N4 — CID 107207249

IUPACN'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
SMILESCN(CCCCCN)CCCn1ccnc1
InChIInChI=1S/C12H24N4/c1-15(8-4-2-3-6-13)9-5-10-16-11-7-14-12-16/h7,11-12H,2-6,8-10,13H2,1H3
InChIKeyKPWWLMOMDXFIPP-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.33
Rot. Bonds9

About N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine

N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine (PubChem CID 107207249) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
PubChem CID107207249
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC NameN'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
SMILESCN(CCCCCN)CCCn1ccnc1
InChIInChI=1S/C12H24N4/c1-15(8-4-2-3-6-13)9-5-10-16-11-7-14-12-16/h7,11-12H,2-6,8-10,13H2,1H3
InChIKeyKPWWLMOMDXFIPP-UHFFFAOYSA-N
XLogP1.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
CID 62334128
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine
CID 75435415
N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 18349582
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
N'-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 61494615
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]benzenecarbothioamide
CID 62967905
1-nonylimidazole;hydrobromide
CID 175434544
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
4-chloro-2-N-(3-imidazol-1-ylpropyl)-2-N-methylbenzene-1,2-diamine
CID 107466060
N-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 75483099

Frequently Asked Questions

What is the IUPAC name of N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine?
The IUPAC name of N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine (CID 107207249) is N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine.
What is the SMILES notation for N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine?
The canonical SMILES for N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine is CN(CCCCCN)CCCn1ccnc1.
What is the InChIKey of N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine?
The InChIKey is KPWWLMOMDXFIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-15(8-4-2-3-6-13)9-5-10-16-11-7-14-12-16/h7,11-12H,2-6,8-10,13H2,1H3.
What are the key properties of N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine?
N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine is sourced from PubChem (CID 107207249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).