N-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine

C20H25N5 — CID 23562984

IUPACN-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine
SMILESc1ccc(C(CCNCCCCc2cnc[nH]2)c2ccccn2)nc1
InChIInChI=1S/C20H25N5/c1(7-17-15-22-16-25-17)4-11-21-14-10-18(19-8-2-5-12-23-19)20-9-3-6-13-24-20/h2-3,5-6,8-9,12-13,15-16,18,21H,1,4,7,10-11,14H2,(H,22,25)
InChIKeyMZHVMDYMNLXYAE-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.33
Rot. Bonds10

About N-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine

N-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine (PubChem CID 23562984) has the molecular formula C20H25N5 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine
PubChem CID23562984
Molecular FormulaC20H25N5
Molecular Weight335.45 g/mol
Exact Mass335.21
IUPAC NameN-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine
SMILESc1ccc(C(CCNCCCCc2cnc[nH]2)c2ccccn2)nc1
InChIInChI=1S/C20H25N5/c1(7-17-15-22-16-25-17)4-11-21-14-10-18(19-8-2-5-12-23-19)20-9-3-6-13-24-20/h2-3,5-6,8-9,12-13,15-16,18,21H,1,4,7,10-11,14H2,(H,22,25)
InChIKeyMZHVMDYMNLXYAE-UHFFFAOYSA-N
XLogP3.33
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine?
The IUPAC name of N-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine (CID 23562984) is N-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine.
What is the SMILES notation for N-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine?
The canonical SMILES for N-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine is c1ccc(C(CCNCCCCc2cnc[nH]2)c2ccccn2)nc1.
What is the InChIKey of N-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine?
The InChIKey is MZHVMDYMNLXYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1(7-17-15-22-16-25-17)4-11-21-14-10-18(19-8-2-5-12-23-19)20-9-3-6-13-24-20/h2-3,5-6,8-9,12-13,15-16,18,21H,1,4,7,10-11,14H2,(H,22,25).
What are the key properties of N-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine?
N-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine has a molecular weight of 335.45 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dipyridin-2-ylpropyl)-4-(1H-imidazol-5-yl)butan-1-amine is sourced from PubChem (CID 23562984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).