ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine

C14H23N3 — CID 156721762

IUPACethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine
SMILESC/N=C(C(=N\C)\C(C)C)/c1ccccn1.CC
InChIInChI=1S/C12H17N3.C2H6/c1-9(2)11(13-3)12(14-4)10-7-5-6-8-15-10;1-2/h5-9H,1-4H3;1-2H3/b13-11+,14-12-;
InChIKeyJPZWCRQOPGDAMQ-NBWZLDDWSA-N
MW233.36 g/mol
LogP3.25
Rot. Bonds3

About ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine

ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine (PubChem CID 156721762) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine.

Molecular Properties

Compound Nameethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine
PubChem CID156721762
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Nameethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine
SMILESC/N=C(C(=N\C)\C(C)C)/c1ccccn1.CC
InChIInChI=1S/C12H17N3.C2H6/c1-9(2)11(13-3)12(14-4)10-7-5-6-8-15-10;1-2/h5-9H,1-4H3;1-2H3/b13-11+,14-12-;
InChIKeyJPZWCRQOPGDAMQ-NBWZLDDWSA-N
XLogP3.25
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
3-chloro-1,1,1-trifluoro-4-methylimino-4-pyridin-2-ylbut-2-en-2-amine
CID 153146421
(2Z)-2-hydroxyimino-2-pyridin-2-ylacetamide
CID 140560701
(2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene)
CID 144630538
ethane;pyridine-2-carbonyl chloride
CID 158598971
N'-aminopyridine-2-carboximidamide
CID 5464234
ethane;molecular hydrogen;pyridine-2-carboxamide
CID 145071770
4-methyl-1-pyridin-2-ylpentane-1,3-dione
CID 63319425
ethane;pyridine-2-carbonyl fluoride
CID 161184414
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
2-(1-propan-2-yloxyethenyl)pyridine
CID 15561064

Frequently Asked Questions

What is the IUPAC name of ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine?
The IUPAC name of ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine (CID 156721762) is ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine.
What is the SMILES notation for ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine?
The canonical SMILES for ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine is C/N=C(C(=N\C)\C(C)C)/c1ccccn1.CC.
What is the InChIKey of ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine?
The InChIKey is JPZWCRQOPGDAMQ-NBWZLDDWSA-N. The full InChI is InChI=1S/C12H17N3.C2H6/c1-9(2)11(13-3)12(14-4)10-7-5-6-8-15-10;1-2/h5-9H,1-4H3;1-2H3/b13-11+,14-12-;.
What are the key properties of ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine?
ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine has a molecular weight of 233.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine is sourced from PubChem (CID 156721762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).