N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile

C17H24N4 — CID 171630553

IUPACN-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile
SMILESC=C(/N=C/C=N/C)C(C)C.CC(C)c1ccc(C#N)cn1
InChIInChI=1S/C9H10N2.C8H14N2/c1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)8(3)10-6-5-9-4/h3-4,6-7H,1-2H3;5-7H,3H2,1-2,4H3/b;9-5+,10-6+
InChIKeyNUVHAWCOTUNTBC-SWCAGSNTSA-N
MW284.41 g/mol
LogP4.00
Rot. Bonds4

About N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile

N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 171630553) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound NameN-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile
PubChem CID171630553
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile
SMILESC=C(/N=C/C=N/C)C(C)C.CC(C)c1ccc(C#N)cn1
InChIInChI=1S/C9H10N2.C8H14N2/c1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)8(3)10-6-5-9-4/h3-4,6-7H,1-2H3;5-7H,3H2,1-2,4H3/b;9-5+,10-6+
InChIKeyNUVHAWCOTUNTBC-SWCAGSNTSA-N
XLogP4.00
TPSA61.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyl-5-propan-2-ylpyridine;6-propan-2-ylpyridine-3-carbonitrile
CID 163393401
6-[(1R,2S)-1-amino-2-hydroxypropyl]pyridine-3-carbonitrile
CID 55294065
6-(3-aminosulfanylbutan-2-yl)pyridine-3-carbonitrile;methanol
CID 145397018
2-[(5-cyano-2-pyridinyl)methylamino]-N'-methyl-N-propylidenepropanimidamide
CID 169111184
6-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900634
6-(3-bromo-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171859650
N-[(2E)-4-methyl-3-(6-propan-2-yl-3-pyridinyl)penta-2,4-dien-2-yl]ethanimine
CID 170397283
6-(1-chloroethoxy)pyridine-3-carbonitrile
CID 143861415
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
4-(5-cyano-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898842
CID 171408447
CID 171408447
6-[(4,4-difluorocyclohexyl)-methylamino]pyridine-3-carbonitrile
CID 170765180

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile (CID 171630553) is N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile is C=C(/N=C/C=N/C)C(C)C.CC(C)c1ccc(C#N)cn1.
What is the InChIKey of N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is NUVHAWCOTUNTBC-SWCAGSNTSA-N. The full InChI is InChI=1S/C9H10N2.C8H14N2/c1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)8(3)10-6-5-9-4/h3-4,6-7H,1-2H3;5-7H,3H2,1-2,4H3/b;9-5+,10-6+.
What are the key properties of N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile?
N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 284.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(3-methylbut-1-en-2-yl)ethane-1,2-diimine;6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 171630553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).