(6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine

C29H46N2O — CID 142619027

IUPAC(6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine
SMILESC=C1C=CC(CC(CC)NCCCC=C(/C=C(CC)\C(C)=C/C)CC)=C(/C(=C\C)OC)N1
InChIInChI=1S/C29H46N2O/c1-9-22(6)25(11-3)20-24(10-2)16-14-15-19-30-27(12-4)21-26-18-17-23(7)31-29(26)28(13-5)32-8/h9,13,16-18,20,27,30-31H,7,10-12,14-15,19,21H2,1-6,8H3/b22-9-,24-16?,25-20-,28-13+
InChIKeyOBQBBNRKPVHRFV-OCSIGDEMSA-N
MW438.70 g/mol
LogP7.64
Rot. Bonds14

About (6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine

(6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine (PubChem CID 142619027) has the molecular formula C29H46N2O and a molecular weight of 438.70 g/mol. Its IUPAC name is (6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine.

Molecular Properties

Compound Name(6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine
PubChem CID142619027
Molecular FormulaC29H46N2O
Molecular Weight438.70 g/mol
Exact Mass438.36
IUPAC Name(6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine
SMILESC=C1C=CC(CC(CC)NCCCC=C(/C=C(CC)\C(C)=C/C)CC)=C(/C(=C\C)OC)N1
InChIInChI=1S/C29H46N2O/c1-9-22(6)25(11-3)20-24(10-2)16-14-15-19-30-27(12-4)21-26-18-17-23(7)31-29(26)28(13-5)32-8/h9,13,16-18,20,27,30-31H,7,10-12,14-15,19,21H2,1-6,8H3/b22-9-,24-16?,25-20-,28-13+
InChIKeyOBQBBNRKPVHRFV-OCSIGDEMSA-N
XLogP7.64
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine
CID 90458043
(2E,15E,17E)-3,15-dimethyl-4,18-dimethylidene-17-prop-2-enylidene-1-oxa-5,14-diazacyclooctadeca-2,15-diene
CID 134526366
(6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine;ethane;prop-1-yne
CID 142619026
ethane;(4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine
CID 143282156
(2E)-2-[(2-ethenyl-5-methylidene-4H-1,4-oxazin-3-yl)methylidene]-N-methylbutan-1-amine
CID 143345893
7-ethenyl-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-4-methoxy-1,8a-dihydroquinoline
CID 143382034
ethane;methane;3-methoxy-4-methyl-N-propylcyclohexa-1,3-dien-1-amine
CID 144301235
ethane;4-N-(6-methoxy-1,8a-dihydroquinolin-8-yl)pentane-1,4-diamine
CID 144745897
(3E,5E,7E)-3-methoxy-N-(2-methoxyethyl)-10-methyl-5,7-bis(prop-1-en-2-yl)undeca-1,3,5,7,9-pentaen-6-amine
CID 144858292
(2E,4E)-5-[[5-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridin-6-yl]methoxy]hexa-2,4-dien-2-amine
CID 164148835
N-[1-[3-[2-(dimethylamino)ethoxy]cyclohexa-1,3-dien-1-yl]ethyl]-2-methylpropan-1-amine
CID 169114932
N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine
CID 170638851

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine?
The IUPAC name of (6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine (CID 142619027) is (6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine.
What is the SMILES notation for (6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine?
The canonical SMILES for (6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine is C=C1C=CC(CC(CC)NCCCC=C(/C=C(CC)\C(C)=C/C)CC)=C(/C(=C\C)OC)N1.
What is the InChIKey of (6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine?
The InChIKey is OBQBBNRKPVHRFV-OCSIGDEMSA-N. The full InChI is InChI=1S/C29H46N2O/c1-9-22(6)25(11-3)20-24(10-2)16-14-15-19-30-27(12-4)21-26-18-17-23(7)31-29(26)28(13-5)32-8/h9,13,16-18,20,27,30-31H,7,10-12,14-15,19,21H2,1-6,8H3/b22-9-,24-16?,25-20-,28-13+.
What are the key properties of (6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine?
(6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine has a molecular weight of 438.70 g/mol, XLogP of 7.64, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-5,7-diethyl-N-[1-[2-[(E)-1-methoxyprop-1-enyl]-6-methylidene-1H-pyridin-3-yl]butan-2-yl]-8-methyldeca-4,6,8-trien-1-amine is sourced from PubChem (CID 142619027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).