(2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine

C17H23N — CID 145212065

IUPAC(2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine
SMILESC#C/C=C\C=C/CCNC/C(C)=C/C=C\C=C/C
InChIInChI=1S/C17H23N/c1-4-6-8-10-11-13-15-18-16-17(3)14-12-9-7-5-2/h1,5-12,14,18H,13,15-16H2,2-3H3/b7-5-,8-6-,11-10-,12-9-,17-14+
InChIKeyWBXSJWSCXWXXMY-FWYVYGKVSA-N
MW241.38 g/mol
LogP3.79
Rot. Bonds8

About (2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine

(2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine (PubChem CID 145212065) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine
PubChem CID145212065
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine
SMILESC#C/C=C\C=C/CCNC/C(C)=C/C=C\C=C/C
InChIInChI=1S/C17H23N/c1-4-6-8-10-11-13-15-18-16-17(3)14-12-9-7-5-2/h1,5-12,14,18H,13,15-16H2,2-3H3/b7-5-,8-6-,11-10-,12-9-,17-14+
InChIKeyWBXSJWSCXWXXMY-FWYVYGKVSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-methyl-N'-[(2E,4Z)-2-methylhexa-2,4-dienyl]ethane-1,2-diamine
CID 143508442
(3Z,5E)-nona-3,5-dien-1-yne
CID 100974514
(2E,4Z,6Z)-2-methylocta-2,4,6-trien-1-ol
CID 89381330
(2Z,5E,6E,8Z,10Z,13Z)-11-ethenyl-5-[(4Z,6Z)-nona-4,6-dien-8-ynylidene]-13-[(Z)-prop-1-enyl]hexadeca-2,6,8,10,13-pentaen-15-yn-4-amine
CID 166865761
(3E)-3-methylnona-3,5,7-trienoic acid
CID 134841489
methyl (2E,4E,8Z,10E,12E)-tetradeca-2,4,8,10,12-pentaenoate
CID 139599901
(2Z)-N,N-dimethylhepta-2,4-dien-6-yn-1-amine
CID 163670390
(4E,6E,10E,12E)-tetradeca-4,6,10,12-tetraen-8-yn-1-ol
CID 101414495
(10E,12E)-hexadeca-10,12,14-trien-1-ol
CID 134532994
(4Z,6Z)-N-[(E)-2-methylbut-2-enyl]-3-methylideneocta-4,6-dien-1-amine
CID 145042717
(2E,8E,10E)-2-methyldodeca-2,8,10-trienal
CID 15331553
(5E,7E,11E,13E)-pentadeca-5,7,11,13-tetraen-9-ynal
CID 15081392

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine (CID 145212065) is (2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine is C#C/C=C\C=C/CCNC/C(C)=C/C=C\C=C/C.
What is the InChIKey of (2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine?
The InChIKey is WBXSJWSCXWXXMY-FWYVYGKVSA-N. The full InChI is InChI=1S/C17H23N/c1-4-6-8-10-11-13-15-18-16-17(3)14-12-9-7-5-2/h1,5-12,14,18H,13,15-16H2,2-3H3/b7-5-,8-6-,11-10-,12-9-,17-14+.
What are the key properties of (2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine?
(2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine has a molecular weight of 241.38 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-2-methyl-N-[(3Z,5Z)-octa-3,5-dien-7-ynyl]octa-2,4,6-trien-1-amine is sourced from PubChem (CID 145212065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).