1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine

C14H24N2 — CID 123499287

IUPAC1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine
SMILESCCCC(C)=CCCC(N)C1=NCCC=C1
InChIInChI=1S/C14H24N2/c1-3-7-12(2)8-6-9-13(15)14-10-4-5-11-16-14/h4,8,10,13H,3,5-7,9,11,15H2,1-2H3
InChIKeyIMQYACKGEBPZFE-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.24
Rot. Bonds6

About 1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine

1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine (PubChem CID 123499287) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine
PubChem CID123499287
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine
SMILESCCCC(C)=CCCC(N)C1=NCCC=C1
InChIInChI=1S/C14H24N2/c1-3-7-12(2)8-6-9-13(15)14-10-4-5-11-16-14/h4,8,10,13H,3,5-7,9,11,15H2,1-2H3
InChIKeyIMQYACKGEBPZFE-UHFFFAOYSA-N
XLogP3.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Diazo-2,3-diethylcyclohexa-2,5-dien-1-amine
CID 20209398
4-(3-diazo-5-methyl-2H-pyridin-6-yl)butan-1-amine
CID 53678689
5-(2,5-Dimethylbenzimidazol-2-yl)pentan-1-amine
CID 54088930
3,5,8,8a-Tetrahydroquinolin-2-ylmethanamine
CID 57182520
2,3,5,6,7,8-Hexahydroquinolin-2-ylmethanamine
CID 68110921
4-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-3-en-1-amine
CID 68983224
[3-(2-methylpropylidene)-4H-pyridin-2-yl]methanamine
CID 70543434
(3-butylidene-4H-pyridin-2-yl)methanamine
CID 70596861
2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine
CID 88976714
(E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine
CID 89188331
(E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine
CID 89271099
N-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine
CID 89742668

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine?
The IUPAC name of 1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine (CID 123499287) is 1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine?
The canonical SMILES for 1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine is CCCC(C)=CCCC(N)C1=NCCC=C1.
What is the InChIKey of 1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine?
The InChIKey is IMQYACKGEBPZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-7-12(2)8-6-9-13(15)14-10-4-5-11-16-14/h4,8,10,13H,3,5-7,9,11,15H2,1-2H3.
What are the key properties of 1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine?
1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-6-yl)-5-methyloct-4-en-1-amine is sourced from PubChem (CID 123499287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).