N-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine

C10H16N2 — CID 156889168

IUPACN-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine
SMILESC=C(C)C(/C=N\NC)=C\C=C/C
InChIInChI=1S/C10H16N2/c1-5-6-7-10(9(2)3)8-12-11-4/h5-8,11H,2H2,1,3-4H3/b6-5-,10-7-,12-8-
InChIKeyPKRPGPKCYYRAHF-LKOSMXPASA-N
MW164.25 g/mol
LogP2.27
Rot. Bonds4

About N-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine

N-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine (PubChem CID 156889168) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine
PubChem CID156889168
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine
SMILESC=C(C)C(/C=N\NC)=C\C=C/C
InChIInChI=1S/C10H16N2/c1-5-6-7-10(9(2)3)8-12-11-4/h5-8,11H,2H2,1,3-4H3/b6-5-,10-7-,12-8-
InChIKeyPKRPGPKCYYRAHF-LKOSMXPASA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine (CID 156889168) is N-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine is C=C(C)C(/C=N\NC)=C\C=C/C.
What is the InChIKey of N-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine?
The InChIKey is PKRPGPKCYYRAHF-LKOSMXPASA-N. The full InChI is InChI=1S/C10H16N2/c1-5-6-7-10(9(2)3)8-12-11-4/h5-8,11H,2H2,1,3-4H3/b6-5-,10-7-,12-8-.
What are the key properties of N-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine?
N-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine has a molecular weight of 164.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienylidene]amino]methanamine is sourced from PubChem (CID 156889168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).