2,2-dibenzylpropanediimidamide

C17H20N4 — CID 68501472

IUPAC2,2-dibenzylpropanediimidamide
SMILES[H]/N=C(\N)C(Cc1ccccc1)(Cc1ccccc1)/C(N)=N/[H]
InChIInChI=1S/C17H20N4/c18-15(19)17(16(20)21,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,18,19)(H3,20,21)
InChIKeyPWTCKCZZOGSZGE-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.33
Rot. Bonds6

About 2,2-dibenzylpropanediimidamide

2,2-dibenzylpropanediimidamide (PubChem CID 68501472) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2,2-dibenzylpropanediimidamide.

Molecular Properties

Compound Name2,2-dibenzylpropanediimidamide
PubChem CID68501472
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2,2-dibenzylpropanediimidamide
SMILES[H]/N=C(\N)C(Cc1ccccc1)(Cc1ccccc1)/C(N)=N/[H]
InChIInChI=1S/C17H20N4/c18-15(19)17(16(20)21,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,18,19)(H3,20,21)
InChIKeyPWTCKCZZOGSZGE-UHFFFAOYSA-N
XLogP2.33
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-methyl-3-phenylpropanimidamide
CID 70333912
2,3-diamino-2-benzyl-3-iminopropanoic acid;hydrochloride
CID 140515646
2-phenylethanimidamide
CID 27787
2-benzyl-2-propylpropanediamide
CID 131715569
1,1-dibenzylguanidine
CID 9487
3-(4-bromophenyl)-2,2-difluoropropanimidamide
CID 115049047
2,2-dibenzyl-3-ethoxy-3-oxopropanoic acid
CID 14551025
benzyl carbamimidothioate;hydron;iodide
CID 174804173
N-[(2R)-2,3-diamino-2-benzyl-3-iminopropanoyl]dodecanamide
CID 22875389
1-(3-amino-3-imino-2,2-dimethylpropyl)-3-benzylurea
CID 107654653
2-fluoro-3-phenylpropanimidamide
CID 18356520
2,2-dichloro-3-phenylpropanamide
CID 21425793

Frequently Asked Questions

What is the IUPAC name of 2,2-dibenzylpropanediimidamide?
The IUPAC name of 2,2-dibenzylpropanediimidamide (CID 68501472) is 2,2-dibenzylpropanediimidamide.
What is the SMILES notation for 2,2-dibenzylpropanediimidamide?
The canonical SMILES for 2,2-dibenzylpropanediimidamide is [H]/N=C(\N)C(Cc1ccccc1)(Cc1ccccc1)/C(N)=N/[H].
What is the InChIKey of 2,2-dibenzylpropanediimidamide?
The InChIKey is PWTCKCZZOGSZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c18-15(19)17(16(20)21,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H3,18,19)(H3,20,21).
What are the key properties of 2,2-dibenzylpropanediimidamide?
2,2-dibenzylpropanediimidamide has a molecular weight of 280.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibenzylpropanediimidamide is sourced from PubChem (CID 68501472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).