N-(pyridin-3-ylmethyl)oct-7-en-4-amine

C14H22N2 — CID 115704900

IUPACN-(pyridin-3-ylmethyl)oct-7-en-4-amine
SMILESC=CCCC(CCC)NCc1cccnc1
InChIInChI=1S/C14H22N2/c1-3-5-9-14(7-4-2)16-12-13-8-6-10-15-11-13/h3,6,8,10-11,14,16H,1,4-5,7,9,12H2,2H3
InChIKeyUYVCMERXZXXLOT-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.31
Rot. Bonds8

About N-(pyridin-3-ylmethyl)oct-7-en-4-amine

N-(pyridin-3-ylmethyl)oct-7-en-4-amine (PubChem CID 115704900) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)oct-7-en-4-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)oct-7-en-4-amine
PubChem CID115704900
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(pyridin-3-ylmethyl)oct-7-en-4-amine
SMILESC=CCCC(CCC)NCc1cccnc1
InChIInChI=1S/C14H22N2/c1-3-5-9-14(7-4-2)16-12-13-8-6-10-15-11-13/h3,6,8,10-11,14,16H,1,4-5,7,9,12H2,2H3
InChIKeyUYVCMERXZXXLOT-UHFFFAOYSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.31
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

N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703
N-methyl-1-pyridin-3-ylhept-6-en-3-amine
CID 105153411
N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine
CID 115726401
N-propyl-1-pyridin-3-ylnon-8-en-2-amine
CID 107009001
N-(thiophen-2-ylmethyl)oct-7-en-4-amine
CID 115706740
5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine
CID 43204922
N-ethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 62551025
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)butan-1-amine
CID 43204940
N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 4717881
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 62043801
N-propyl-5-pyridin-3-ylpent-1-en-3-amine
CID 105161313

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)oct-7-en-4-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)oct-7-en-4-amine (CID 115704900) is N-(pyridin-3-ylmethyl)oct-7-en-4-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)oct-7-en-4-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)oct-7-en-4-amine is C=CCCC(CCC)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)oct-7-en-4-amine?
The InChIKey is UYVCMERXZXXLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-5-9-14(7-4-2)16-12-13-8-6-10-15-11-13/h3,6,8,10-11,14,16H,1,4-5,7,9,12H2,2H3.
What are the key properties of N-(pyridin-3-ylmethyl)oct-7-en-4-amine?
N-(pyridin-3-ylmethyl)oct-7-en-4-amine has a molecular weight of 218.34 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)oct-7-en-4-amine is sourced from PubChem (CID 115704900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).