3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide

C14H15N5 — CID 142938740

IUPAC3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide
SMILES[H]/N=C(\N=N\N)c1cccc(NCc2ccccc2)c1
InChIInChI=1S/C14H15N5/c15-14(18-19-16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H3,15,16,18)
InChIKeyNDLWIWPPTHJJNX-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.95
Rot. Bonds4

About 3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide

3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide (PubChem CID 142938740) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide.

Molecular Properties

Compound Name3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide
PubChem CID142938740
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide
SMILES[H]/N=C(\N=N\N)c1cccc(NCc2ccccc2)c1
InChIInChI=1S/C14H15N5/c15-14(18-19-16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H3,15,16,18)
InChIKeyNDLWIWPPTHJJNX-UHFFFAOYSA-N
XLogP2.95
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-imino-3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
CID 142223846
hydrazine;3-[(4-phenoxyphenyl)methylamino]benzenecarboximidamide
CID 142938542
N'-diazenyl-3-[(4-phenylphenyl)methylamino]benzenecarboximidamide
CID 173497556
3-[(2-chlorophenyl)methylamino]-N-iminobenzenecarboximidamide
CID 142223657
3-(benzylamino)benzenethiol
CID 146183965
CID 163931246
CID 163931246
4-ethyl-N-hydrazinylidenebenzenecarboximidamide
CID 89361259
N-benzyl-3-isocyanoaniline
CID 58875358
3-(benzylamino)benzoic acid;3-(benzylamino)-N-propan-2-ylbenzamide
CID 158813508
4-(anilinomethyl)-N'-hydroxybenzenecarboximidamide
CID 77025269
4-[(3-bromoanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026847
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide?
The IUPAC name of 3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide (CID 142938740) is 3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide.
What is the SMILES notation for 3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide?
The canonical SMILES for 3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide is [H]/N=C(\N=N\N)c1cccc(NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide?
The InChIKey is NDLWIWPPTHJJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-14(18-19-16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H3,15,16,18).
What are the key properties of 3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide?
3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide has a molecular weight of 253.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-N-hydrazinylidenebenzenecarboximidamide is sourced from PubChem (CID 142938740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).