N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline

C12H15N — CID 172568637

IUPACN-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline
SMILESC=C/C=C\N(C)c1cccc(C)c1
InChIInChI=1S/C12H15N/c1-4-5-9-13(3)12-8-6-7-11(2)10-12/h4-10H,1H2,2-3H3/b9-5-
InChIKeyLNMUIHRSTQANRH-UITAMQMPSA-N
MW173.26 g/mol
LogP3.13
Rot. Bonds3

About N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline

N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline (PubChem CID 172568637) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline
PubChem CID172568637
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline
SMILESC=C/C=C\N(C)c1cccc(C)c1
InChIInChI=1S/C12H15N/c1-4-5-9-13(3)12-8-6-7-11(2)10-12/h4-10H,1H2,2-3H3/b9-5-
InChIKeyLNMUIHRSTQANRH-UITAMQMPSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.13
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-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline
CID 118297015
1-N,3-N-bis[(1Z)-buta-1,3-dienyl]-1-N,3-N,2-trimethylbenzene-1,3-diamine
CID 144735633
CID 145278615
CID 145278615
CID 138691650
CID 138691650
CID 70331685
CID 70331685
1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
CID 129406214
N,3-dimethyl-N-(methylideneamino)aniline
CID 90709546
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
CID 89229629
1-N,1-N'-dimethyl-1-N,1-N'-bis(3-methylphenyl)prop-1-ene-1,1-diamine
CID 70524092
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline
CID 69459469
penta-1,4-diene;1,3-xylene
CID 173131413

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline (CID 172568637) is N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline is C=C/C=C\N(C)c1cccc(C)c1.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline?
The InChIKey is LNMUIHRSTQANRH-UITAMQMPSA-N. The full InChI is InChI=1S/C12H15N/c1-4-5-9-13(3)12-8-6-7-11(2)10-12/h4-10H,1H2,2-3H3/b9-5-.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline?
N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline has a molecular weight of 173.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline is sourced from PubChem (CID 172568637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).