(1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine

C11H16N2 — CID 138510533

IUPAC(1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine
SMILESC=C/C=C(\C=C/C)C/C=C(/N)N=C
InChIInChI=1S/C11H16N2/c1-4-6-10(7-5-2)8-9-11(12)13-3/h4-7,9H,1,3,8,12H2,2H3/b7-5-,10-6+,11-9-
InChIKeyZDQJGSDZAMDIKP-NJZRPCRESA-N
MW176.26 g/mol
LogP2.57
Rot. Bonds5

About (1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine

(1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine (PubChem CID 138510533) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name(1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine
PubChem CID138510533
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine
SMILESC=C/C=C(\C=C/C)C/C=C(/N)N=C
InChIInChI=1S/C11H16N2/c1-4-6-10(7-5-2)8-9-11(12)13-3/h4-7,9H,1,3,8,12H2,2H3/b7-5-,10-6+,11-9-
InChIKeyZDQJGSDZAMDIKP-NJZRPCRESA-N
XLogP2.57
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
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 (1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine?
The IUPAC name of (1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine (CID 138510533) is (1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine.
What is the SMILES notation for (1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine?
The canonical SMILES for (1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine is C=C/C=C(\C=C/C)C/C=C(/N)N=C.
What is the InChIKey of (1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine?
The InChIKey is ZDQJGSDZAMDIKP-NJZRPCRESA-N. The full InChI is InChI=1S/C11H16N2/c1-4-6-10(7-5-2)8-9-11(12)13-3/h4-7,9H,1,3,8,12H2,2H3/b7-5-,10-6+,11-9-.
What are the key properties of (1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine?
(1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine has a molecular weight of 176.26 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-1-(methylideneamino)-4-[(Z)-prop-1-enyl]hepta-1,4,6-trien-1-amine is sourced from PubChem (CID 138510533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).