ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine

C14H24N2 — CID 142610613

IUPACethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine
SMILESCC.CC/C=C1/N=CC=C(C(C)C)/C1=N\C
InChIInChI=1S/C12H18N2.C2H6/c1-5-6-11-12(13-4)10(9(2)3)7-8-14-11;1-2/h6-9H,5H2,1-4H3;1-2H3/b11-6+,13-12+;
InChIKeyKXOWENRLZYTUQN-MRWAXVCRSA-N
MW220.36 g/mol
LogP4.04
Rot. Bonds2

About ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine

ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine (PubChem CID 142610613) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine.

Molecular Properties

Compound Nameethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine
PubChem CID142610613
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine
SMILESCC.CC/C=C1/N=CC=C(C(C)C)/C1=N\C
InChIInChI=1S/C12H18N2.C2H6/c1-5-6-11-12(13-4)10(9(2)3)7-8-14-11;1-2/h6-9H,5H2,1-4H3;1-2H3/b11-6+,13-12+;
InChIKeyKXOWENRLZYTUQN-MRWAXVCRSA-N
XLogP4.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexen-1-yl)-2-methylpropan-1-imine
CID 53736477
5-(3-methyl-2-propan-2-ylbutyl)-3H-pyrrole
CID 58164963
5-(3-methylbutyl)-3H-pyrrole
CID 58324839
3-Methyl-6-octyl-3,4-dihydropyridine
CID 71148391
2-methyl-N-(5-methylcyclopenten-1-yl)propan-1-imine
CID 89211315
3,4,4a,5-Tetrahydro-1,6-naphthyridine
CID 90735924
N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine
CID 90841481
3,5,7-Trimethyl-5-(3-methylbutyl)-1,4-diazepine
CID 91042445
N-(6-butan-2-yl-2,3-dihydropyridin-5-yl)propan-1-imine
CID 91176798
10-Methyl-2,3,7,8,9,10-hexahydropyrido[3,2-b]azocine
CID 91242003
2,3-Di(ethylidene)-4-propan-2-ylpyridine
CID 91324852
(Z)-1-cyclopropyl-4-N-ethylidene-1-N-methylhex-3-ene-1,4-diimine
CID 91514458

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine?
The IUPAC name of ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine (CID 142610613) is ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine.
What is the SMILES notation for ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine?
The canonical SMILES for ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine is CC.CC/C=C1/N=CC=C(C(C)C)/C1=N\C.
What is the InChIKey of ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine?
The InChIKey is KXOWENRLZYTUQN-MRWAXVCRSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-5-6-11-12(13-4)10(9(2)3)7-8-14-11;1-2/h6-9H,5H2,1-4H3;1-2H3/b11-6+,13-12+;.
What are the key properties of ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine?
ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine has a molecular weight of 220.36 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-N-methyl-4-propan-2-yl-2-propylidenepyridin-3-imine is sourced from PubChem (CID 142610613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).