N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine

C19H37N5 — CID 174234273

IUPACN-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine
SMILESCCCN1C=CN(CCCN(C)CCCN2C=CN(CCC)C2)C1
InChIInChI=1S/C19H37N5/c1-4-8-21-14-16-23(18-21)12-6-10-20(3)11-7-13-24-17-15-22(19-24)9-5-2/h14-17H,4-13,18-19H2,1-3H3
InChIKeyGDJXAXZFGOMMFG-UHFFFAOYSA-N
MW335.54 g/mol
LogP2.61
Rot. Bonds12

About N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine

N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine (PubChem CID 174234273) has the molecular formula C19H37N5 and a molecular weight of 335.54 g/mol. Its IUPAC name is N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine
PubChem CID174234273
Molecular FormulaC19H37N5
Molecular Weight335.54 g/mol
Exact Mass335.30
IUPAC NameN-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine
SMILESCCCN1C=CN(CCCN(C)CCCN2C=CN(CCC)C2)C1
InChIInChI=1S/C19H37N5/c1-4-8-21-14-16-23(18-21)12-6-10-20(3)11-7-13-24-17-15-22(19-24)9-5-2/h14-17H,4-13,18-19H2,1-3H3
InChIKeyGDJXAXZFGOMMFG-UHFFFAOYSA-N
XLogP2.61
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-pentyl-3-propyl-2H-imidazole;hydrochloride
CID 173025272
1-hexyl-3-propyl-2H-imidazole;hydroiodide
CID 173007691
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1,3-di(nonyl)-2H-imidazole
CID 69395396
1-hexyl-3-octadecyl-2H-imidazole
CID 68966514

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine?
The IUPAC name of N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine (CID 174234273) is N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine is CCCN1C=CN(CCCN(C)CCCN2C=CN(CCC)C2)C1.
What is the InChIKey of N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine?
The InChIKey is GDJXAXZFGOMMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5/c1-4-8-21-14-16-23(18-21)12-6-10-20(3)11-7-13-24-17-15-22(19-24)9-5-2/h14-17H,4-13,18-19H2,1-3H3.
What are the key properties of N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine?
N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine has a molecular weight of 335.54 g/mol, XLogP of 2.61, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine is sourced from PubChem (CID 174234273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).