N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide

C21H34N2 — CID 167215336

IUPACN'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(C)=N/C(C(=C)CC)=C(C)/C(=C\C)C1CCCCC1
InChIInChI=1S/C21H34N2/c1-8-16(5)21(23-18(7)22-15(3)4)17(6)20(9-2)19-13-11-10-12-14-19/h9,19H,3,5,8,10-14H2,1-2,4,6-7H3,(H,22,23)/b20-9+,21-17+
InChIKeyUJMVOUXEZZGJLQ-ZPOBTFBFSA-N
MW314.52 g/mol
LogP6.29
Rot. Bonds6

About N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide

N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide (PubChem CID 167215336) has the molecular formula C21H34N2 and a molecular weight of 314.52 g/mol. Its IUPAC name is N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide
PubChem CID167215336
Molecular FormulaC21H34N2
Molecular Weight314.52 g/mol
Exact Mass314.27
IUPAC NameN'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(C)=N/C(C(=C)CC)=C(C)/C(=C\C)C1CCCCC1
InChIInChI=1S/C21H34N2/c1-8-16(5)21(23-18(7)22-15(3)4)17(6)20(9-2)19-13-11-10-12-14-19/h9,19H,3,5,8,10-14H2,1-2,4,6-7H3,(H,22,23)/b20-9+,21-17+
InChIKeyUJMVOUXEZZGJLQ-ZPOBTFBFSA-N
XLogP6.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.52
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide?
The IUPAC name of N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide (CID 167215336) is N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide?
The canonical SMILES for N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide is C=C(C)N/C(C)=N/C(C(=C)CC)=C(C)/C(=C\C)C1CCCCC1.
What is the InChIKey of N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide?
The InChIKey is UJMVOUXEZZGJLQ-ZPOBTFBFSA-N. The full InChI is InChI=1S/C21H34N2/c1-8-16(5)21(23-18(7)22-15(3)4)17(6)20(9-2)19-13-11-10-12-14-19/h9,19H,3,5,8,10-14H2,1-2,4,6-7H3,(H,22,23)/b20-9+,21-17+.
What are the key properties of N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide?
N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide has a molecular weight of 314.52 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4E,6Z)-6-cyclohexyl-5-methyl-3-methylideneocta-4,6-dien-4-yl]-N-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 167215336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).