1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine

C16H23N — CID 143151394

IUPAC1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine
SMILESC=C/C=C(\C)C(C(=C)/C=C\C=C/C)N1CCC1
InChIInChI=1S/C16H23N/c1-5-7-8-11-15(4)16(14(3)10-6-2)17-12-9-13-17/h5-8,10-11,16H,2,4,9,12-13H2,1,3H3/b7-5-,11-8-,14-10+
InChIKeyHWTCSTPQQXIXIZ-DLUHIXOSSA-N
MW229.37 g/mol
LogP3.88
Rot. Bonds6

About 1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine

1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine (PubChem CID 143151394) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine.

Molecular Properties

Compound Name1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine
PubChem CID143151394
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine
SMILESC=C/C=C(\C)C(C(=C)/C=C\C=C/C)N1CCC1
InChIInChI=1S/C16H23N/c1-5-7-8-11-15(4)16(14(3)10-6-2)17-12-9-13-17/h5-8,10-11,16H,2,4,9,12-13H2,1,3H3/b7-5-,11-8-,14-10+
InChIKeyHWTCSTPQQXIXIZ-DLUHIXOSSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E,7E)-4-ethylnona-1,3,5,7-tetraene
CID 143912648
1-but-1-en-3-yn-2-yl-4-[(2Z,4E,6E,8Z)-4-ethylidene-6-methyldeca-2,6,8-trien-5-yl]piperazine
CID 144819208
(3E,6E)-4,5-dimethylocta-1,3,6-triene
CID 12533133
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578
2-methylhepta-1,3,5-triene
CID 54571604
(4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile
CID 143883909
ethane;(2E,4Z)-2-[(Z)-prop-1-enyl]-1-[4-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoyl]-1,4-diazepan-1-yl]hexa-2,4-dien-1-one
CID 143859704
(2Z)-1-methoxy-2-methylpenta-2,4-dien-1-amine
CID 167020251
buta-1,3-diene;hexa-2,4-dienoic acid
CID 88763418
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
(2E,4E)-hexa-2,4-dienoic acid;(3E)-penta-1,3-diene
CID 158184372
(2R,4E)-4-methyl-3-[(3Z)-penta-1,3-dien-2-yl]-1-(propan-2-ylamino)hepta-4,6-dien-2-ol
CID 130415407

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine?
The IUPAC name of 1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine (CID 143151394) is 1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine.
What is the SMILES notation for 1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine?
The canonical SMILES for 1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine is C=C/C=C(\C)C(C(=C)/C=C\C=C/C)N1CCC1.
What is the InChIKey of 1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine?
The InChIKey is HWTCSTPQQXIXIZ-DLUHIXOSSA-N. The full InChI is InChI=1S/C16H23N/c1-5-7-8-11-15(4)16(14(3)10-6-2)17-12-9-13-17/h5-8,10-11,16H,2,4,9,12-13H2,1,3H3/b7-5-,11-8-,14-10+.
What are the key properties of 1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine?
1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine has a molecular weight of 229.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine is sourced from PubChem (CID 143151394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).