(2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine

C9H14N2 — CID 89074092

IUPAC(2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
SMILES[H]/N=C/[C@H](N)C(/C=C\C)=C/C=C
InChIInChI=1S/C9H14N2/c1-3-5-8(6-4-2)9(11)7-10/h3-7,9-10H,1,11H2,2H3/b6-4-,8-5+,10-7+/t9-/m0/s1
InChIKeyAJVSZPNRNZPVHU-MRILRYQYSA-N
MW150.22 g/mol
LogP1.65
Rot. Bonds4

About (2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine

(2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine (PubChem CID 89074092) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
PubChem CID89074092
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
SMILES[H]/N=C/[C@H](N)C(/C=C\C)=C/C=C
InChIInChI=1S/C9H14N2/c1-3-5-8(6-4-2)9(11)7-10/h3-7,9-10H,1,11H2,2H3/b6-4-,8-5+,10-7+/t9-/m0/s1
InChIKeyAJVSZPNRNZPVHU-MRILRYQYSA-N
XLogP1.65
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine?
The IUPAC name of (2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine (CID 89074092) is (2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine.
What is the SMILES notation for (2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine?
The canonical SMILES for (2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine is [H]/N=C/[C@H](N)C(/C=C\C)=C/C=C.
What is the InChIKey of (2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine?
The InChIKey is AJVSZPNRNZPVHU-MRILRYQYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-5-8(6-4-2)9(11)7-10/h3-7,9-10H,1,11H2,2H3/b6-4-,8-5+,10-7+/t9-/m0/s1.
What are the key properties of (2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine?
(2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine has a molecular weight of 150.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine is sourced from PubChem (CID 89074092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).