N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine

C12H21N3 — CID 153352369

IUPACN-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine
SMILESCCCCN/C=C(\NN)C1=CCCC=C1
InChIInChI=1S/C12H21N3/c1-2-3-9-14-10-12(15-13)11-7-5-4-6-8-11/h5,7-8,10,14-15H,2-4,6,9,13H2,1H3/b12-10-
InChIKeyIUUYCJIDNISZCB-BENRWUELSA-N
MW207.32 g/mol
LogP1.96
Rot. Bonds6

About N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine

N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine (PubChem CID 153352369) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine.

Molecular Properties

Compound NameN-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine
PubChem CID153352369
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine
SMILESCCCCN/C=C(\NN)C1=CCCC=C1
InChIInChI=1S/C12H21N3/c1-2-3-9-14-10-12(15-13)11-7-5-4-6-8-11/h5,7-8,10,14-15H,2-4,6,9,13H2,1H3/b12-10-
InChIKeyIUUYCJIDNISZCB-BENRWUELSA-N
XLogP1.96
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 68259094
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1-Ethyl-2,3,4,8-tetrahydro-1,2-benzodiazepine
CID 70003260
2-methyl-5,6-dipropyl-1H-pyridazine
CID 70010314
(5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine
CID 89028331
4-(1,5-Dihydropyrazol-2-ylmethyl)cyclohexa-2,4-dien-1-amine
CID 89043606
N-(2-hydrazinylethyl)-3-methylcyclohexa-1,5-dien-1-amine
CID 89045039
[3-(Cyclohexa-1,5-dien-1-ylmethyl)-1,2-dihydrotriazol-5-yl]methanamine
CID 89242287
[3-(Cyclohexa-1,3-dien-1-ylmethyl)-1,2-dihydrotriazol-5-yl]methanamine
CID 89242288
6-[(1Z)-buta-1,3-dienyl]-5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyridazine
CID 89468900
3-[(1Z)-buta-1,3-dienyl]-4-methyl-2-propan-2-yl-5,6-dihydro-1H-pyridazine
CID 89468902
1-(4-Methylcyclohexa-1,5-dien-1-yl)-1-[2-(6-methyl-1,2-dihydropyridin-3-yl)ethyl]hydrazine
CID 89503254

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine?
The IUPAC name of N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine (CID 153352369) is N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine.
What is the SMILES notation for N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine?
The canonical SMILES for N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine is CCCCN/C=C(\NN)C1=CCCC=C1.
What is the InChIKey of N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine?
The InChIKey is IUUYCJIDNISZCB-BENRWUELSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-3-9-14-10-12(15-13)11-7-5-4-6-8-11/h5,7-8,10,14-15H,2-4,6,9,13H2,1H3/b12-10-.
What are the key properties of N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine?
N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-cyclohexa-1,5-dien-1-yl-2-hydrazinylethenyl]butan-1-amine is sourced from PubChem (CID 153352369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).