(1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine

C12H21N3 — CID 126678672

IUPAC(1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine
SMILESC=CCN(CC=C)C(=C/C)/C(C)=C\NN
InChIInChI=1S/C12H21N3/c1-5-8-15(9-6-2)12(7-3)11(4)10-14-13/h5-7,10,14H,1-2,8-9,13H2,3-4H3/b11-10-,12-7+
InChIKeyHHHDENWSFSYGBC-LVILPVEGSA-N
MW207.32 g/mol
LogP1.93
Rot. Bonds7

About (1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine

(1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine (PubChem CID 126678672) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine.

Molecular Properties

Compound Name(1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine
PubChem CID126678672
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine
SMILESC=CCN(CC=C)C(=C/C)/C(C)=C\NN
InChIInChI=1S/C12H21N3/c1-5-8-15(9-6-2)12(7-3)11(4)10-14-13/h5-7,10,14H,1-2,8-9,13H2,3-4H3/b11-10-,12-7+
InChIKeyHHHDENWSFSYGBC-LVILPVEGSA-N
XLogP1.93
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine?
The IUPAC name of (1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine (CID 126678672) is (1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine.
What is the SMILES notation for (1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine?
The canonical SMILES for (1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine is C=CCN(CC=C)C(=C/C)/C(C)=C\NN.
What is the InChIKey of (1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine?
The InChIKey is HHHDENWSFSYGBC-LVILPVEGSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-8-15(9-6-2)12(7-3)11(4)10-14-13/h5-7,10,14H,1-2,8-9,13H2,3-4H3/b11-10-,12-7+.
What are the key properties of (1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine?
(1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine has a molecular weight of 207.32 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-hydrazinyl-2-methyl-N,N-bis(prop-2-enyl)penta-1,3-dien-3-amine is sourced from PubChem (CID 126678672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).