(E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine

C24H42N2O — CID 155709905

IUPAC(E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine
SMILESC=C1NCCC/C1=C/C=C(\C)CCCCN(CCOC)CCC(C)C(=C)C
InChIInChI=1S/C24H42N2O/c1-20(2)22(4)14-17-26(18-19-27-6)16-8-7-10-21(3)12-13-24-11-9-15-25-23(24)5/h12-13,22,25H,1,5,7-11,14-19H2,2-4,6H3/b21-12+,24-13-
InChIKeyIMBFTDDSEMKSLH-SGZHDIPLSA-N
MW374.61 g/mol
LogP5.48
Rot. Bonds13

About (E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine

(E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine (PubChem CID 155709905) has the molecular formula C24H42N2O and a molecular weight of 374.61 g/mol. Its IUPAC name is (E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine.

Molecular Properties

Compound Name(E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine
PubChem CID155709905
Molecular FormulaC24H42N2O
Molecular Weight374.61 g/mol
Exact Mass374.33
IUPAC Name(E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine
SMILESC=C1NCCC/C1=C/C=C(\C)CCCCN(CCOC)CCC(C)C(=C)C
InChIInChI=1S/C24H42N2O/c1-20(2)22(4)14-17-26(18-19-27-6)16-8-7-10-21(3)12-13-24-11-9-15-25-23(24)5/h12-13,22,25H,1,5,7-11,14-19H2,2-4,6H3/b21-12+,24-13-
InChIKeyIMBFTDDSEMKSLH-SGZHDIPLSA-N
XLogP5.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine?
The IUPAC name of (E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine (CID 155709905) is (E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine.
What is the SMILES notation for (E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine?
The canonical SMILES for (E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine is C=C1NCCC/C1=C/C=C(\C)CCCCN(CCOC)CCC(C)C(=C)C.
What is the InChIKey of (E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine?
The InChIKey is IMBFTDDSEMKSLH-SGZHDIPLSA-N. The full InChI is InChI=1S/C24H42N2O/c1-20(2)22(4)14-17-26(18-19-27-6)16-8-7-10-21(3)12-13-24-11-9-15-25-23(24)5/h12-13,22,25H,1,5,7-11,14-19H2,2-4,6H3/b21-12+,24-13-.
What are the key properties of (E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine?
(E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine has a molecular weight of 374.61 g/mol, XLogP of 5.48, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7Z)-N-(3,4-dimethylpent-4-enyl)-N-(2-methoxyethyl)-5-methyl-7-(2-methylidenepiperidin-3-ylidene)hept-5-en-1-amine is sourced from PubChem (CID 155709905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).