N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine

C16H24N4 — CID 106556651

IUPACN'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
SMILESCC(C)n1ccnc1NCCCN(C)c1ccccc1
InChIInChI=1S/C16H24N4/c1-14(2)20-13-11-18-16(20)17-10-7-12-19(3)15-8-5-4-6-9-15/h4-6,8-9,11,13-14H,7,10,12H2,1-3H3,(H,17,18)
InChIKeyPDYNTMYEXROTNN-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.40
Rot. Bonds7

About N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine

N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine (PubChem CID 106556651) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
PubChem CID106556651
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine
SMILESCC(C)n1ccnc1NCCCN(C)c1ccccc1
InChIInChI=1S/C16H24N4/c1-14(2)20-13-11-18-16(20)17-10-7-12-19(3)15-8-5-4-6-9-15/h4-6,8-9,11,13-14H,7,10,12H2,1-3H3,(H,17,18)
InChIKeyPDYNTMYEXROTNN-UHFFFAOYSA-N
XLogP3.40
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine (CID 106556651) is N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine is CC(C)n1ccnc1NCCCN(C)c1ccccc1.
What is the InChIKey of N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine?
The InChIKey is PDYNTMYEXROTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-14(2)20-13-11-18-16(20)17-10-7-12-19(3)15-8-5-4-6-9-15/h4-6,8-9,11,13-14H,7,10,12H2,1-3H3,(H,17,18).
What are the key properties of N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine?
N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine has a molecular weight of 272.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenyl-N-(1-propan-2-ylimidazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 106556651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).