1-pyridin-3-yloct-1-en-4-amine

C13H20N2 — CID 54009292

IUPAC1-pyridin-3-yloct-1-en-4-amine
SMILESCCCCC(N)CC=Cc1cccnc1
InChIInChI=1S/C13H20N2/c1-2-3-8-13(14)9-4-6-12-7-5-10-15-11-12/h4-7,10-11,13H,2-3,8-9,14H2,1H3
InChIKeyKRDMBTGZQZKPMM-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.00
Rot. Bonds6

About 1-pyridin-3-yloct-1-en-4-amine

1-pyridin-3-yloct-1-en-4-amine (PubChem CID 54009292) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-pyridin-3-yloct-1-en-4-amine.

Molecular Properties

Compound Name1-pyridin-3-yloct-1-en-4-amine
PubChem CID54009292
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-pyridin-3-yloct-1-en-4-amine
SMILESCCCCC(N)CC=Cc1cccnc1
InChIInChI=1S/C13H20N2/c1-2-3-8-13(14)9-4-6-12-7-5-10-15-11-12/h4-7,10-11,13H,2-3,8-9,14H2,1H3
InChIKeyKRDMBTGZQZKPMM-UHFFFAOYSA-N
XLogP3.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-oct-1-enylpyridine
CID 67243858
1-pyridin-3-ylundecan-2-amine
CID 62603230
(E)-4-pyridin-3-ylbut-3-enamide
CID 141387555
(E)-6-pyridin-4-ylhex-5-en-3-amine
CID 170888675
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
(E)-1-pyridin-3-yloct-1-en-3-one
CID 70109374
4-pyridin-3-ylbut-3-enenitrile
CID 170799077
3-dodecan-5-ylpyridine
CID 71051175
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
1-phenylheptadec-1-en-6-amine;hydrochloride
CID 173236417
tert-butyl N-methyl-N-(5-pyridin-3-ylpent-4-en-2-yl)carbamate
CID 54198020
tert-butyl N-methyl-N-[(E)-5-pyridin-3-ylpent-4-en-2-yl]carbamate
CID 22144483

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yloct-1-en-4-amine?
The IUPAC name of 1-pyridin-3-yloct-1-en-4-amine (CID 54009292) is 1-pyridin-3-yloct-1-en-4-amine.
What is the SMILES notation for 1-pyridin-3-yloct-1-en-4-amine?
The canonical SMILES for 1-pyridin-3-yloct-1-en-4-amine is CCCCC(N)CC=Cc1cccnc1.
What is the InChIKey of 1-pyridin-3-yloct-1-en-4-amine?
The InChIKey is KRDMBTGZQZKPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-3-8-13(14)9-4-6-12-7-5-10-15-11-12/h4-7,10-11,13H,2-3,8-9,14H2,1H3.
What are the key properties of 1-pyridin-3-yloct-1-en-4-amine?
1-pyridin-3-yloct-1-en-4-amine has a molecular weight of 204.32 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yloct-1-en-4-amine is sourced from PubChem (CID 54009292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).