3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine

C14H20N2 — CID 142297999

IUPAC3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine
SMILESC=CC1C2=CCC(C=C2)N(N)C1/C=C\CC
InChIInChI=1S/C14H20N2/c1-3-5-6-14-13(4-2)11-7-9-12(10-8-11)16(14)15/h4-9,12-14H,2-3,10,15H2,1H3/b6-5-
InChIKeyNIJAOOPDQIVLQP-WAYWQWQTSA-N
MW216.33 g/mol
LogP2.57
Rot. Bonds3

About 3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine

3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine (PubChem CID 142297999) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine
PubChem CID142297999
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine
SMILESC=CC1C2=CCC(C=C2)N(N)C1/C=C\CC
InChIInChI=1S/C14H20N2/c1-3-5-6-14-13(4-2)11-7-9-12(10-8-11)16(14)15/h4-9,12-14H,2-3,10,15H2,1H3/b6-5-
InChIKeyNIJAOOPDQIVLQP-WAYWQWQTSA-N
XLogP2.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5,5a,9a-Tetrahydro-1-benzazepin-1-amine
CID 67037119
1-[(2R)-2-methylbutyl]-1-[2-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)butan-2-yl]hydrazine
CID 70973533
1-[(2R,3Z)-5-[(1S)-cyclohex-2-en-1-yl]hexa-3,5-dien-2-yl]-1-methylhydrazine
CID 89320699
1-ethyl-1-[(3E,4Z)-4-methyl-3-prop-2-enylidenehepta-4,6-dien-2-yl]hydrazine
CID 126712198
7,8-Bis(ethenyl)-6-methyl-5-azaspiro[2.5]oct-7-en-5-amine
CID 144986558
1-[(4Z)-5-ethyl-3,4-dimethylhepta-4,6-dien-2-yl]-1-methylhydrazine
CID 166896625
1-[6-[(Z)-but-2-enyl]cyclohexa-1,3-dien-1-yl]-1-pent-1-en-3-ylhydrazine
CID 167228181

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine?
The IUPAC name of 3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine (CID 142297999) is 3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine?
The canonical SMILES for 3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine is C=CC1C2=CCC(C=C2)N(N)C1/C=C\CC.
What is the InChIKey of 3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine?
The InChIKey is NIJAOOPDQIVLQP-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-5-6-14-13(4-2)11-7-9-12(10-8-11)16(14)15/h4-9,12-14H,2-3,10,15H2,1H3/b6-5-.
What are the key properties of 3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine?
3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine has a molecular weight of 216.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-4-ethenyl-2-azabicyclo[3.2.2]nona-5(9),6-dien-2-amine is sourced from PubChem (CID 142297999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).