(4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile

C20H35N3 — CID 170632476

IUPAC(4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile
SMILESCC1=C(/C=C(/CC(C#N)NC(C)C)C(C)C)CN(C(C)C)CC1
InChIInChI=1S/C20H35N3/c1-14(2)18(11-20(12-21)22-15(3)4)10-19-13-23(16(5)6)9-8-17(19)7/h10,14-16,20,22H,8-9,11,13H2,1-7H3/b18-10-
InChIKeyFJWZTISGXMXQAJ-ZDLGFXPLSA-N
MW317.52 g/mol
LogP4.28
Rot. Bonds7

About (4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile

(4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile (PubChem CID 170632476) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is (4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile.

Molecular Properties

Compound Name(4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile
PubChem CID170632476
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Name(4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile
SMILESCC1=C(/C=C(/CC(C#N)NC(C)C)C(C)C)CN(C(C)C)CC1
InChIInChI=1S/C20H35N3/c1-14(2)18(11-20(12-21)22-15(3)4)10-19-13-23(16(5)6)9-8-17(19)7/h10,14-16,20,22H,8-9,11,13H2,1-7H3/b18-10-
InChIKeyFJWZTISGXMXQAJ-ZDLGFXPLSA-N
XLogP4.28
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 50940470
(6S)-2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 50940473
(6R)-2-methyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 69669097
3-[(8-Amino-1,2,8,8a-tetrahydronaphthalen-1-yl)amino]butanenitrile
CID 89637066
(6S)-2-methyl-6-(4-methylidenecyclohexa-1,5-dien-1-yl)-N-(2-methylpropyl)hept-2-en-4-amine
CID 123756860
(1Z,4E,6Z)-1-cyclohex-2-en-1-yl-N-pentylnona-1,4,6,8-tetraen-3-amine
CID 124115934
2-[2-(3-Methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile
CID 131995056
4-(Methylamino)cyclohex-2-ene-1-carbonitrile
CID 132002735
3-[[(1E,3Z)-2,3-dimethyl-1-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)penta-1,3-dienyl]amino]propanenitrile
CID 134525558
(Z,3E)-N-(2,4-dimethylpentyl)-3-ethylidene-6-methylhept-4-en-2-amine
CID 138507756
(Z)-but-2-ene;ethane;N-[(2-ethylcyclohexa-1,5-dien-1-yl)methyl]-2-methylhexan-1-amine
CID 141786655
ethane;N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;molecular hydrogen
CID 142068042

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile?
The IUPAC name of (4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile (CID 170632476) is (4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile.
What is the SMILES notation for (4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile?
The canonical SMILES for (4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile is CC1=C(/C=C(/CC(C#N)NC(C)C)C(C)C)CN(C(C)C)CC1.
What is the InChIKey of (4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile?
The InChIKey is FJWZTISGXMXQAJ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C20H35N3/c1-14(2)18(11-20(12-21)22-15(3)4)10-19-13-23(16(5)6)9-8-17(19)7/h10,14-16,20,22H,8-9,11,13H2,1-7H3/b18-10-.
What are the key properties of (4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile?
(4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile has a molecular weight of 317.52 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-methyl-4-[(4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-5-yl)methylidene]-2-(propan-2-ylamino)hexanenitrile is sourced from PubChem (CID 170632476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).