(3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine

C8H16N4 — CID 145152765

IUPAC(3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine
SMILESC=C(/C=C(/N)C(=C)NN)CNC
InChIInChI=1S/C8H16N4/c1-6(5-11-3)4-8(9)7(2)12-10/h4,11-12H,1-2,5,9-10H2,3H3/b8-4+
InChIKeyYCKPUZRXDDITQZ-XBXARRHUSA-N
MW168.24 g/mol
LogP-0.42
Rot. Bonds5

About (3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine

(3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine (PubChem CID 145152765) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is (3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine.

Molecular Properties

Compound Name(3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine
PubChem CID145152765
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name(3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine
SMILESC=C(/C=C(/N)C(=C)NN)CNC
InChIInChI=1S/C8H16N4/c1-6(5-11-3)4-8(9)7(2)12-10/h4,11-12H,1-2,5,9-10H2,3H3/b8-4+
InChIKeyYCKPUZRXDDITQZ-XBXARRHUSA-N
XLogP-0.42
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(Cyclohexa-1,5-dien-1-ylmethyl)-1,2-dihydrotriazol-5-yl]methanamine
CID 89242287
(2Z,4E,5Z)-7-[amino(methyl)amino]-4-ethylidene-N-methylnona-2,5-dien-5-amine
CID 118363217
(1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine
CID 126678672
(2Z,3Z)-N,5-dimethyl-4-(2-methylhydrazinyl)-2-[(methylideneamino)methylidene]hexa-3,5-dien-1-amine
CID 134269234
(1E,3E,5Z)-2-[amino(ethenyl)amino]-4-ethyl-N-methylhepta-1,3,5-trien-1-amine
CID 134292983
(3E,5Z)-N-[(Z)-2-[amino(methyl)amino]prop-1-enyl]-5-ethylhepta-1,3,5-trien-4-amine
CID 134301576
1-ethyl-1-methyl-2-[(2Z,5Z,7Z)-4-methylidenenona-2,5,7-trien-3-yl]hydrazine
CID 139479192
ethane;(3E)-N,N,5-trimethyl-4-(2-methylhydrazinyl)hexa-3,5-dien-2-amine
CID 143501967
ethane;2-[(2E,4Z)-4-ethenylhepta-2,4,6-trien-3-yl]-1,5-dihydropyrazole
CID 143818348
N,2-dimethyl-3-prop-1-en-2-yl-5,6-dihydro-1H-pyridazin-4-amine;ethane
CID 143839514
1,2-dimethyl-1-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydrazine;ethane
CID 144233908
N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine
CID 153352369

Frequently Asked Questions

What is the IUPAC name of (3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine?
The IUPAC name of (3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine (CID 145152765) is (3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine.
What is the SMILES notation for (3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine?
The canonical SMILES for (3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine is C=C(/C=C(/N)C(=C)NN)CNC.
What is the InChIKey of (3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine?
The InChIKey is YCKPUZRXDDITQZ-XBXARRHUSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(5-11-3)4-8(9)7(2)12-10/h4,11-12H,1-2,5,9-10H2,3H3/b8-4+.
What are the key properties of (3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine?
(3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine has a molecular weight of 168.24 g/mol, XLogP of -0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-hydrazinyl-1-N-methyl-2-methylidenehexa-3,5-diene-1,4-diamine is sourced from PubChem (CID 145152765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).