(2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene)

C19H30N2 — CID 144630538

IUPAC(2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene)
SMILESC/C=C(CCC)/C(=N\C)c1ccccn1.C=CC.C=CC
InChIInChI=1S/C13H18N2.2C3H6/c1-4-8-11(5-2)13(14-3)12-9-6-7-10-15-12;2*1-3-2/h5-7,9-10H,4,8H2,1-3H3;2*3H,1H2,2H3/b11-5+,14-13+;;
InChIKeyIQFMOBUMSVMNIJ-PNJMBWNOSA-N
MW286.46 g/mol
LogP5.63
Rot. Bonds4

About (2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene)

(2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene) (PubChem CID 144630538) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene).

Molecular Properties

Compound Name(2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene)
PubChem CID144630538
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name(2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene)
SMILESC/C=C(CCC)/C(=N\C)c1ccccn1.C=CC.C=CC
InChIInChI=1S/C13H18N2.2C3H6/c1-4-8-11(5-2)13(14-3)12-9-6-7-10-15-12;2*1-3-2/h5-7,9-10H,4,8H2,1-3H3;2*3H,1H2,2H3/b11-5+,14-13+;;
InChIKeyIQFMOBUMSVMNIJ-PNJMBWNOSA-N
XLogP5.63
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hept-1-en-2-ylpyridine
CID 67857415
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
ethane;1-N,2-N,3-trimethyl-1-pyridin-2-ylbutane-1,2-diimine
CID 156721762
2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 147592446
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
1-pyridin-2-ylhexan-1-one
CID 556347
(NZ)-N-(1-pyridin-2-ylundecylidene)hydroxylamine
CID 136790254
1-hydroxy-1-pyridin-2-ylhex-1-en-3-one
CID 75107546
N-(1-pyridin-2-ylheptylidene)hydroxylamine
CID 658439
N-butyl-1-pyridin-2-ylethanimine
CID 583773
(Z,Z)-N-(methylideneamino)-2-pyridin-2-ylbut-2-en-1-imine
CID 155726107

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene)?
The IUPAC name of (2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene) (CID 144630538) is (2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene).
What is the SMILES notation for (2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene)?
The canonical SMILES for (2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene) is C/C=C(CCC)/C(=N\C)c1ccccn1.C=CC.C=CC.
What is the InChIKey of (2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene)?
The InChIKey is IQFMOBUMSVMNIJ-PNJMBWNOSA-N. The full InChI is InChI=1S/C13H18N2.2C3H6/c1-4-8-11(5-2)13(14-3)12-9-6-7-10-15-12;2*1-3-2/h5-7,9-10H,4,8H2,1-3H3;2*3H,1H2,2H3/b11-5+,14-13+;;.
What are the key properties of (2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene)?
(2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene) has a molecular weight of 286.46 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-N-methyl-1-pyridin-2-ylpentan-1-imine;bis(prop-1-ene) is sourced from PubChem (CID 144630538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).