(2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine

C12H18N2 — CID 88586056

IUPAC(2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C\C)CN(C)/C=C\N=C
InChIInChI=1S/C12H18N2/c1-5-7-12(8-6-2)11-14(4)10-9-13-3/h5-10H,1,3,11H2,2,4H3/b8-6+,10-9-,12-7+
InChIKeyHUHRXSFABMAEJT-RFHDLBGDSA-N
MW190.29 g/mol
LogP2.78
Rot. Bonds6

About (2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine

(2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine (PubChem CID 88586056) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine
PubChem CID88586056
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C\C)CN(C)/C=C\N=C
InChIInChI=1S/C12H18N2/c1-5-7-12(8-6-2)11-14(4)10-9-13-3/h5-10H,1,3,11H2,2,4H3/b8-6+,10-9-,12-7+
InChIKeyHUHRXSFABMAEJT-RFHDLBGDSA-N
XLogP2.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
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 (2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine?
The IUPAC name of (2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine (CID 88586056) is (2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine is C=C/C=C(\C=C\C)CN(C)/C=C\N=C.
What is the InChIKey of (2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine?
The InChIKey is HUHRXSFABMAEJT-RFHDLBGDSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-7-12(8-6-2)11-14(4)10-9-13-3/h5-10H,1,3,11H2,2,4H3/b8-6+,10-9-,12-7+.
What are the key properties of (2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine?
(2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 88586056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).