(3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine

C15H22N2 — CID 88557703

IUPAC(3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine
SMILESC=C(/C(N)=C\C=C/C)C1C(C)=CN(C)C=C1C
InChIInChI=1S/C15H22N2/c1-6-7-8-14(16)13(4)15-11(2)9-17(5)10-12(15)3/h6-10,15H,4,16H2,1-3,5H3/b7-6-,14-8+
InChIKeyCRWNGDULBULREK-BHWOWGIZSA-N
MW230.35 g/mol
LogP3.33
Rot. Bonds3

About (3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine

(3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine (PubChem CID 88557703) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine
PubChem CID88557703
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine
SMILESC=C(/C(N)=C\C=C/C)C1C(C)=CN(C)C=C1C
InChIInChI=1S/C15H22N2/c1-6-7-8-14(16)13(4)15-11(2)9-17(5)10-12(15)3/h6-10,15H,4,16H2,1-3,5H3/b7-6-,14-8+
InChIKeyCRWNGDULBULREK-BHWOWGIZSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5E)-1-N-ethyl-5-fluoro-1-N,3-dimethyl-4-methylideneocta-5,7-diene-1,7-diamine
CID 145549510
(2E)-4-[1-[(E)-2-cyclopentylprop-1-enyl]-6-methylidene-3-pyridinyl]-2-(fluoromethylidene)butan-1-amine
CID 153556104
1-[(E)-2,3-dimethylpent-1-enyl]-4-(1-fluoroethyl)-2-methylidenepyridine
CID 170359675
1-Azatricyclo[7.3.1.05,13]trideca-2,7,9(13),10-tetraen-3-amine
CID 19919421
3-(1-methyl-2H-pyridin-3-yl)propan-1-amine
CID 21948972
N,N-dimethyl-6-(3-methylhex-5-en-2-ylidene)cyclohexa-1,3-dien-1-amine
CID 66765762
3-methyl-4-(1-methyl-2H-pyridin-5-yl)butan-1-amine
CID 67602406
2-[(Dimethylamino)methyl]-4,5,6,6-tetramethylcyclohexa-1,3-dien-1-amine
CID 68427819
N,N-dimethyl-3-(3-methylpentan-2-ylidene)cyclohexa-1,5-dien-1-amine
CID 70148837
(1Z,3E,5Z)-2-N-ethenyl-6-methyl-3-propan-2-ylocta-1,3,5,7-tetraene-1,2-diamine
CID 88905965
(5Z)-5-[[amino(methyl)amino]methylidene]-6-ethylcyclohexa-1,3-dien-1-amine
CID 89028273
4-ethenyl-3-N-methyl-3-N-propan-2-ylcyclohexa-1,3-diene-1,3-diamine
CID 89209445

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine (CID 88557703) is (3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine is C=C(/C(N)=C\C=C/C)C1C(C)=CN(C)C=C1C.
What is the InChIKey of (3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine?
The InChIKey is CRWNGDULBULREK-BHWOWGIZSA-N. The full InChI is InChI=1S/C15H22N2/c1-6-7-8-14(16)13(4)15-11(2)9-17(5)10-12(15)3/h6-10,15H,4,16H2,1-3,5H3/b7-6-,14-8+.
What are the key properties of (3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine?
(3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine has a molecular weight of 230.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-(1,3,5-trimethyl-4H-pyridin-4-yl)hepta-1,3,5-trien-3-amine is sourced from PubChem (CID 88557703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).