1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine

C14H22N2 — CID 143109268

IUPAC1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine
SMILES[H]/N=C(\C)N1C=CC=C/C1=C(/C)CCCCC
InChIInChI=1S/C14H22N2/c1-4-5-6-9-12(2)14-10-7-8-11-16(14)13(3)15/h7-8,10-11,15H,4-6,9H2,1-3H3/b14-12+,15-13+
InChIKeyDPPSIUOWRWZREY-QUMQEAAQSA-N
MW218.34 g/mol
LogP4.22
Rot. Bonds4

About 1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine

1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine (PubChem CID 143109268) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine.

Molecular Properties

Compound Name1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine
PubChem CID143109268
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine
SMILES[H]/N=C(\C)N1C=CC=C/C1=C(/C)CCCCC
InChIInChI=1S/C14H22N2/c1-4-5-6-9-12(2)14-10-7-8-11-16(14)13(3)15/h7-8,10-11,15H,4-6,9H2,1-3H3/b14-12+,15-13+
InChIKeyDPPSIUOWRWZREY-QUMQEAAQSA-N
XLogP4.22
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,4-Ditert-butylpyridin-2-imine
CID 59116553
N-cyclohexa-1,5-dien-1-yl-N-methylethanimidamide
CID 89402555
N-(3-ethylidene-6-methylideneocta-1,4-dien-2-yl)-N-methylethanimidamide
CID 123226625
6-[(1Z)-buta-1,3-dienyl]-5-methyl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 132099128
1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane
CID 143424286
Ethane;5-ethyl-1-methanimidoylpyridin-2-imine
CID 145188459
(2-Imino-1-prop-1-en-2-yl-4-pyridinyl)methanamine
CID 166139731
Cyclohexane;1-methanimidoyl-4-pentylpyridin-2-imine
CID 168894330
1-But-1-en-2-yl-4-ethylpyridin-2-imine
CID 169252177
1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine
CID 170271348
1-Ethyl-4,6-dimethylpyridin-2-imine
CID 45079075
1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine
CID 143424287

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine?
The IUPAC name of 1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine (CID 143109268) is 1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine.
What is the SMILES notation for 1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine?
The canonical SMILES for 1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine is [H]/N=C(\C)N1C=CC=C/C1=C(/C)CCCCC.
What is the InChIKey of 1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine?
The InChIKey is DPPSIUOWRWZREY-QUMQEAAQSA-N. The full InChI is InChI=1S/C14H22N2/c1-4-5-6-9-12(2)14-10-7-8-11-16(14)13(3)15/h7-8,10-11,15H,4-6,9H2,1-3H3/b14-12+,15-13+.
What are the key properties of 1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine?
1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine has a molecular weight of 218.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine is sourced from PubChem (CID 143109268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).