1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine

C16H21N3 — CID 143032030

IUPAC1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine
SMILESC=C/C(=N\C=C/C)C(C)C/C(=N\C)c1ccncc1
InChIInChI=1S/C16H21N3/c1-5-9-19-15(6-2)13(3)12-16(17-4)14-7-10-18-11-8-14/h5-11,13H,2,12H2,1,3-4H3/b9-5-,17-16+,19-15+
InChIKeyLRRFJRBKWZXIFP-PVZLZYHKSA-N
MW255.37 g/mol
LogP3.69
Rot. Bonds6

About 1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine

1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine (PubChem CID 143032030) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine.

Molecular Properties

Compound Name1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine
PubChem CID143032030
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine
SMILESC=C/C(=N\C=C/C)C(C)C/C(=N\C)c1ccncc1
InChIInChI=1S/C16H21N3/c1-5-9-19-15(6-2)13(3)12-16(17-4)14-7-10-18-11-8-14/h5-11,13H,2,12H2,1,3-4H3/b9-5-,17-16+,19-15+
InChIKeyLRRFJRBKWZXIFP-PVZLZYHKSA-N
XLogP3.69
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-prop-1-enyl]-1-pyridin-4-ylethanimine
CID 91982748
N'-methyl-N-[(methylideneamino)methylidene]pyridine-4-carboximidamide
CID 167166647
2-(4-methoxyphenyl)-N-methyl-1-pyridin-4-ylethanimine
CID 54101281
4-[(3Z)-penta-1,3-dien-2-yl]pyridine
CID 118479579
4-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyridine;propane
CID 156737667
ethane;N-[(1Z,3Z)-1-pyridin-4-ylpenta-1,3-dienyl]ethanimine
CID 143157890
(2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal
CID 142878844
2-pyridin-4-ylprop-1-en-1-ol
CID 136628397
1-pyridin-4-ylbut-2-en-1-one
CID 86070863
(3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine
CID 142603276
2-(2-methylpropylideneamino)-1-pyridin-4-ylethanone
CID 153052694
N-[(1Z,3E)-3-pyridin-4-ylhexa-1,3-dienyl]methanimine
CID 155030531

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine?
The IUPAC name of 1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine (CID 143032030) is 1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine.
What is the SMILES notation for 1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine?
The canonical SMILES for 1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine is C=C/C(=N\C=C/C)C(C)C/C(=N\C)c1ccncc1.
What is the InChIKey of 1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine?
The InChIKey is LRRFJRBKWZXIFP-PVZLZYHKSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-9-19-15(6-2)13(3)12-16(17-4)14-7-10-18-11-8-14/h5-11,13H,2,12H2,1,3-4H3/b9-5-,17-16+,19-15+.
What are the key properties of 1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine?
1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine has a molecular weight of 255.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethyl-4-N-[(Z)-prop-1-enyl]-1-pyridin-4-ylhex-5-ene-1,4-diimine is sourced from PubChem (CID 143032030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).