(Z)-1-[amino(benzyl)amino]ethene-1,2-diamine

C9H14N4 — CID 144632746

IUPAC(Z)-1-[amino(benzyl)amino]ethene-1,2-diamine
SMILESN/C=C(/N)N(N)Cc1ccccc1
InChIInChI=1S/C9H14N4/c10-6-9(11)13(12)7-8-4-2-1-3-5-8/h1-6H,7,10-12H2/b9-6-
InChIKeyKFJMLSQKLRYKPK-TWGQIWQCSA-N
MW178.24 g/mol
LogP0.08
Rot. Bonds3

About (Z)-1-[amino(benzyl)amino]ethene-1,2-diamine

(Z)-1-[amino(benzyl)amino]ethene-1,2-diamine (PubChem CID 144632746) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is (Z)-1-[amino(benzyl)amino]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-[amino(benzyl)amino]ethene-1,2-diamine
PubChem CID144632746
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name(Z)-1-[amino(benzyl)amino]ethene-1,2-diamine
SMILESN/C=C(/N)N(N)Cc1ccccc1
InChIInChI=1S/C9H14N4/c10-6-9(11)13(12)7-8-4-2-1-3-5-8/h1-6H,7,10-12H2/b9-6-
InChIKeyKFJMLSQKLRYKPK-TWGQIWQCSA-N
XLogP0.08
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino(benzyl)carbamic acid
CID 18704089
amino(benzyl)carbamoperoxoic acid
CID 139935569
benzyl N-amino-N-benzylcarbamate;hydrochloride
CID 172789622
1,1-dibenzylthiourea
CID 3517261
dimethyl (Z)-2-amino-3-[amino(benzyl)amino]but-2-enedioate
CID 142886062
N-benzylcyclopentanecarbohydrazide
CID 141018237
N-benzyl-2,2-dimethylbutanehydrazide
CID 178067841
2-[amino(benzyl)amino]phenol
CID 151067188
1-benzyl-1-chlorourea
CID 23442758
benzyl(oxido)carbamic acid
CID 54711063
N,N-dimethyl-1-phenylmethanamine;prop-2-enamide
CID 174647778
(2S)-2-[[amino(benzyl)carbamoyl]amino]propanoic acid
CID 139928126

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(benzyl)amino]ethene-1,2-diamine?
The IUPAC name of (Z)-1-[amino(benzyl)amino]ethene-1,2-diamine (CID 144632746) is (Z)-1-[amino(benzyl)amino]ethene-1,2-diamine.
What is the SMILES notation for (Z)-1-[amino(benzyl)amino]ethene-1,2-diamine?
The canonical SMILES for (Z)-1-[amino(benzyl)amino]ethene-1,2-diamine is N/C=C(/N)N(N)Cc1ccccc1.
What is the InChIKey of (Z)-1-[amino(benzyl)amino]ethene-1,2-diamine?
The InChIKey is KFJMLSQKLRYKPK-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H14N4/c10-6-9(11)13(12)7-8-4-2-1-3-5-8/h1-6H,7,10-12H2/b9-6-.
What are the key properties of (Z)-1-[amino(benzyl)amino]ethene-1,2-diamine?
(Z)-1-[amino(benzyl)amino]ethene-1,2-diamine has a molecular weight of 178.24 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(benzyl)amino]ethene-1,2-diamine is sourced from PubChem (CID 144632746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).