N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine

C20H30N2 — CID 91598723

IUPACN-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine
SMILESC=C1C=CC=CN1/C(=N/C1CCCCC1)C(=CC)C(C)CC
InChIInChI=1S/C20H30N2/c1-5-16(3)19(6-2)20(21-18-13-8-7-9-14-18)22-15-11-10-12-17(22)4/h6,10-12,15-16,18H,4-5,7-9,13-14H2,1-3H3/b19-6?,21-20+
InChIKeyOBHCQUULEYWVAD-GFFDTHOUSA-N
MW298.47 g/mol
LogP5.61
Rot. Bonds4

About N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine

N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine (PubChem CID 91598723) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine
PubChem CID91598723
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC NameN-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine
SMILESC=C1C=CC=CN1/C(=N/C1CCCCC1)C(=CC)C(C)CC
InChIInChI=1S/C20H30N2/c1-5-16(3)19(6-2)20(21-18-13-8-7-9-14-18)22-15-11-10-12-17(22)4/h6,10-12,15-16,18H,4-5,7-9,13-14H2,1-3H3/b19-6?,21-20+
InChIKeyOBHCQUULEYWVAD-GFFDTHOUSA-N
XLogP5.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-(5-fluoro-2-methylidene-1-pyridinyl)-2-propan-2-ylbut-2-en-1-imine
CID 90781512
(4Z)-4-[(Z)-but-2-enylidene]-N-[(3E,5Z)-4-ethenylhepta-1,3,5-trien-3-yl]-5-methylidene-6-[(3S,5Z)-3-methyl-2-methylidene-4,7,8,9,10,11-hexahydro-3H-1-benzazonin-1-yl]-N-[(2Z)-penta-2,4-dienyl]pyridin-2-amine
CID 88976762
(2E,4E)-6-methyl-5-[C-(4-methylpiperidin-1-yl)-N-prop-1-en-2-ylcarbonimidoyl]-N,N-dipropylhepta-2,4,6-trien-3-amine
CID 118617834
N'-ethenyl-N-methyl-N-[3-[1-(2-methylcyclohexa-2,4-dien-1-yl)ethenyliminomethyl]but-3-en-2-yl]methanimidamide
CID 123806707
N-(2-ethylidene-5-methylhexa-3,5-dienyl)-7,10-dimethyl-8,9-dihydro-7H-pyrazino[1,2-a]azepin-6-imine
CID 123841838
10-(5,6-dihydro-4H-azocin-1-yl)-2,3,8-trimethyl-9-pentan-2-yl-2,3-dihydroazecine
CID 124025320
(E,2E)-N-ethenyl-2-ethylidene-1-[(2S)-2-methylpiperidin-1-yl]-3-propan-2-ylhex-3-en-1-imine
CID 126516250
(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine
CID 130374259
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
CID 134557797
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
CID 142511111
1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine;ethene
CID 142947991
2-Butan-2-yl-8-ethyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 144871877

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine?
The IUPAC name of N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine (CID 91598723) is N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine.
What is the SMILES notation for N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine?
The canonical SMILES for N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine is C=C1C=CC=CN1/C(=N/C1CCCCC1)C(=CC)C(C)CC.
What is the InChIKey of N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine?
The InChIKey is OBHCQUULEYWVAD-GFFDTHOUSA-N. The full InChI is InChI=1S/C20H30N2/c1-5-16(3)19(6-2)20(21-18-13-8-7-9-14-18)22-15-11-10-12-17(22)4/h6,10-12,15-16,18H,4-5,7-9,13-14H2,1-3H3/b19-6?,21-20+.
What are the key properties of N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine?
N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine has a molecular weight of 298.47 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-ethylidene-3-methyl-1-(2-methylidene-1-pyridinyl)pentan-1-imine is sourced from PubChem (CID 91598723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).