N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane

C19H37NO — CID 144881902

IUPACN-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane
SMILESC=N/C=C\C(=C/C)COC1CCC(C)(C)CC1.CC.CC
InChIInChI=1S/C15H25NO.2C2H6/c1-5-13(8-11-16-4)12-17-14-6-9-15(2,3)10-7-14;2*1-2/h5,8,11,14H,4,6-7,9-10,12H2,1-3H3;2*1-2H3/b11-8-,13-5+;;
InChIKeyPQKBVZNWEGSVOR-DGYGJLBNSA-N
MW295.51 g/mol
LogP6.18
Rot. Bonds5

About N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane

N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane (PubChem CID 144881902) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane.

Molecular Properties

Compound NameN-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane
PubChem CID144881902
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane
SMILESC=N/C=C\C(=C/C)COC1CCC(C)(C)CC1.CC.CC
InChIInChI=1S/C15H25NO.2C2H6/c1-5-13(8-11-16-4)12-17-14-6-9-15(2,3)10-7-14;2*1-2/h5,8,11,14H,4,6-7,9-10,12H2,1-3H3;2*1-2H3/b11-8-,13-5+;;
InChIKeyPQKBVZNWEGSVOR-DGYGJLBNSA-N
XLogP6.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane with MolForge

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Related Compounds

2-[(4,4-dimethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol
CID 103073876
4-(4,4-dimethylcyclohexyl)oxy-3-methylbut-2-enoic acid
CID 104893922
1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxyethanol
CID 114341920
N-[(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-enyl]acetamide
CID 144540768
2-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methyloxirane
CID 114340893
4-(4,4-dimethylcyclohexyl)oxy-2-methylbut-2-enoic acid
CID 104893919
2-(4,4-dimethylcyclohexyl)oxy-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 114341690
4-(6-chlorohexoxy)-1,1-dimethylcyclohexane
CID 114340907
1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 114340882
(2E)-2-ethylidene-4,4-dimethylcyclohexan-1-ol
CID 11819249
2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride
CID 114342697
N-(2-aminophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
CID 114340601

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane?
The IUPAC name of N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane (CID 144881902) is N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane.
What is the SMILES notation for N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane?
The canonical SMILES for N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane is C=N/C=C\C(=C/C)COC1CCC(C)(C)CC1.CC.CC.
What is the InChIKey of N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane?
The InChIKey is PQKBVZNWEGSVOR-DGYGJLBNSA-N. The full InChI is InChI=1S/C15H25NO.2C2H6/c1-5-13(8-11-16-4)12-17-14-6-9-15(2,3)10-7-14;2*1-2/h5,8,11,14H,4,6-7,9-10,12H2,1-3H3;2*1-2H3/b11-8-,13-5+;;.
What are the key properties of N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane?
N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane has a molecular weight of 295.51 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane is sourced from PubChem (CID 144881902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).