[6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine

C15H26N2 — CID 91229717

IUPAC[6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine
SMILESC=C(CCCCC)CCC1=NC(CN)CC=C1
InChIInChI=1S/C15H26N2/c1-3-4-5-7-13(2)10-11-14-8-6-9-15(12-16)17-14/h6,8,15H,2-5,7,9-12,16H2,1H3
InChIKeyMYPVWUUWGLKEBN-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.63
Rot. Bonds8

About [6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine

[6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine (PubChem CID 91229717) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is [6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine.

Molecular Properties

Compound Name[6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine
PubChem CID91229717
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name[6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine
SMILESC=C(CCCCC)CCC1=NC(CN)CC=C1
InChIInChI=1S/C15H26N2/c1-3-4-5-7-13(2)10-11-14-8-6-9-15(12-16)17-14/h6,8,15H,2-5,7,9-12,16H2,1H3
InChIKeyMYPVWUUWGLKEBN-UHFFFAOYSA-N
XLogP3.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-diazo-5-methyl-2H-pyridin-6-yl)butan-1-amine
CID 53678689
5-(2,3-Dihydropyridin-2-yl)pentan-2-amine
CID 67896760
2-Pentyl-2,3-dihydropyridin-3-amine
CID 67896766
2,3,5,6,7,8-Hexahydroquinolin-2-ylmethanamine
CID 68110921
(E)-4-(3,4-dihydropyridin-2-yl)hex-4-en-1-amine
CID 89188331
(5E)-5-(3,4-dihydropyridin-2-yl)hepta-1,5-dien-2-amine
CID 89188349
(E)-5-(3,4-dihydropyridin-2-yl)hept-5-en-2-amine
CID 89271099
6-(Cyclohexen-1-yl)-2,3,4,5-tetrahydropyridin-2-amine
CID 122664606
3,4,5,7-tetrahydro-2H-1-benzazepin-5-amine
CID 123268711
1-[[(2E)-8-methylidenedeca-2,9-dien-4-ylidene]amino]propan-1-amine
CID 123286955
1-(6-Iminocyclohexen-1-yl)ethanamine
CID 123374353
1-(2,3-Dihydropyridin-6-yl)-5-methyloct-4-en-1-amine
CID 123499287

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine?
The IUPAC name of [6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine (CID 91229717) is [6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine.
What is the SMILES notation for [6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine?
The canonical SMILES for [6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine is C=C(CCCCC)CCC1=NC(CN)CC=C1.
What is the InChIKey of [6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine?
The InChIKey is MYPVWUUWGLKEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-4-5-7-13(2)10-11-14-8-6-9-15(12-16)17-14/h6,8,15H,2-5,7,9-12,16H2,1H3.
What are the key properties of [6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine?
[6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine has a molecular weight of 234.39 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylideneoctyl)-2,3-dihydropyridin-2-yl]methanamine is sourced from PubChem (CID 91229717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).