(1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine

C11H15N — CID 163917439

IUPAC(1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C=C/N(C)/C=C\C=C
InChIInChI=1S/C11H15N/c1-4-6-8-9-11-12(3)10-7-5-2/h4-11H,1-2H2,3H3/b8-6-,10-7-,11-9-
InChIKeyQXMDAHFKFZRLAW-NCKVKMDVSA-N
MW161.25 g/mol
LogP2.87
Rot. Bonds5

About (1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine

(1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine (PubChem CID 163917439) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine
PubChem CID163917439
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine
SMILESC=C/C=C\C=C/N(C)/C=C\C=C
InChIInChI=1S/C11H15N/c1-4-6-8-9-11-12(3)10-7-5-2/h4-11H,1-2H2,3H3/b8-6-,10-7-,11-9-
InChIKeyQXMDAHFKFZRLAW-NCKVKMDVSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.87
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

N-[(1E)-buta-1,3-dienyl]-N-methylformamide
CID 58812160
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
1-buta-1,3-dienyl-1-methylhydrazine
CID 91065871
N'-[(1E,3Z)-hexa-1,3,5-trienyl]-N'-methylmethanediamine
CID 118121074
(1Z)-N,N-dimethylbuta-1,3-dien-1-amine;ethane;propane
CID 143328939
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
(1E)-N-methyl-N-prop-2-enylbuta-1,3-dien-1-amine
CID 143685278
(3E,5E,7E)-nona-1,3,5,7-tetraene
CID 15570287
hendecahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109-pentapentacontaene
CID 90980447
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontaene
CID 90936747
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontaene
CID 90694623

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine (CID 163917439) is (1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine is C=C/C=C\C=C/N(C)/C=C\C=C.
What is the InChIKey of (1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine?
The InChIKey is QXMDAHFKFZRLAW-NCKVKMDVSA-N. The full InChI is InChI=1S/C11H15N/c1-4-6-8-9-11-12(3)10-7-5-2/h4-11H,1-2H2,3H3/b8-6-,10-7-,11-9-.
What are the key properties of (1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-[(1Z)-buta-1,3-dienyl]-N-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 163917439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).