3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine

C13H20N2 — CID 163740599

IUPAC3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine
SMILESCC/C=C\C=C/C(C)C1C=NC=C(N)C1
InChIInChI=1S/C13H20N2/c1-3-4-5-6-7-11(2)12-8-13(14)10-15-9-12/h4-7,9-12H,3,8,14H2,1-2H3/b5-4-,7-6-
InChIKeyLHJWNBPHBZWPTD-RZSVFLSASA-N
MW204.32 g/mol
LogP3.04
Rot. Bonds4

About 3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine

3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine (PubChem CID 163740599) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine.

Molecular Properties

Compound Name3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine
PubChem CID163740599
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine
SMILESCC/C=C\C=C/C(C)C1C=NC=C(N)C1
InChIInChI=1S/C13H20N2/c1-3-4-5-6-7-11(2)12-8-13(14)10-15-9-12/h4-7,9-12H,3,8,14H2,1-2H3/b5-4-,7-6-
InChIKeyLHJWNBPHBZWPTD-RZSVFLSASA-N
XLogP3.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine with MolForge

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Related Compounds

CID 88870663
CID 88870663
N'-(6,8,9-trimethyldeca-2,4-dien-4-yl)ethane-1,2-diimine
CID 123315279
(3E,6R)-5-ethyl-8-imino-5,6-dimethylocta-1,3-dien-4-amine
CID 126584283
4-[[[(E)-3-(4-aminocyclohexa-1,3-dien-1-yl)prop-2-enylidene]amino]methyl]-6-methylcyclohexa-1,3-dien-1-amine
CID 129254493
1-(2-Methylprop-1-enyliminomethyl)-4a,8a-dihydronaphthalen-2-amine
CID 131966581
2-(2-Methylpropylideneamino)bicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 142271471
[5-[(Z)-but-1-enyl]-6-methyl-3,4-dihydropyridin-4-yl]methanamine
CID 144615014
3,4-Dimethyl-3,4,4a,5-tetrahydroquinoline
CID 148410838
4a,5-Dihydroisoquinolin-6-amine
CID 153663632
(Z,3E)-3-(3-ethyl-4-propan-2-yl-3H-pyridin-2-ylidene)prop-1-en-1-amine
CID 156141305
(4aR,5R)-5-methyl-3,4,4a,5-tetrahydroquinoline
CID 156227077
(4aR)-5-methyl-3,4,4a,5-tetrahydroquinoline
CID 156227150

Frequently Asked Questions

What is the IUPAC name of 3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine?
The IUPAC name of 3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine (CID 163740599) is 3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine.
What is the SMILES notation for 3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine?
The canonical SMILES for 3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine is CC/C=C\C=C/C(C)C1C=NC=C(N)C1.
What is the InChIKey of 3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine?
The InChIKey is LHJWNBPHBZWPTD-RZSVFLSASA-N. The full InChI is InChI=1S/C13H20N2/c1-3-4-5-6-7-11(2)12-8-13(14)10-15-9-12/h4-7,9-12H,3,8,14H2,1-2H3/b5-4-,7-6-.
What are the key properties of 3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine?
3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine has a molecular weight of 204.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3Z,5Z)-octa-3,5-dien-2-yl]-3,4-dihydropyridin-5-amine is sourced from PubChem (CID 163740599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).