4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine

C16H22N2 — CID 89153976

IUPAC4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine
SMILESC/C=C\C=C/C1=CCCN(C2=CC=C(N)CC2)C1
InChIInChI=1S/C16H22N2/c1-2-3-4-6-14-7-5-12-18(13-14)16-10-8-15(17)9-11-16/h2-4,6-8,10H,5,9,11-13,17H2,1H3/b3-2-,6-4-
InChIKeyVBKVWWOZXBLENY-BXAWZMCCSA-N
MW242.37 g/mol
LogP3.27
Rot. Bonds3

About 4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine

4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 89153976) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine
PubChem CID89153976
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine
SMILESC/C=C\C=C/C1=CCCN(C2=CC=C(N)CC2)C1
InChIInChI=1S/C16H22N2/c1-2-3-4-6-14-7-5-12-18(13-14)16-10-8-15(17)9-11-16/h2-4,6-8,10H,5,9,11-13,17H2,1H3/b3-2-,6-4-
InChIKeyVBKVWWOZXBLENY-BXAWZMCCSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine (CID 89153976) is 4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine is C/C=C\C=C/C1=CCCN(C2=CC=C(N)CC2)C1.
What is the InChIKey of 4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is VBKVWWOZXBLENY-BXAWZMCCSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-3-4-6-14-7-5-12-18(13-14)16-10-8-15(17)9-11-16/h2-4,6-8,10H,5,9,11-13,17H2,1H3/b3-2-,6-4-.
What are the key properties of 4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine?
4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1Z,3Z)-penta-1,3-dienyl]-3,6-dihydro-2H-pyridin-1-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89153976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).