N-hept-6-en-3-yl-2-methoxypyridin-3-amine

C13H20N2O — CID 115922090

IUPACN-hept-6-en-3-yl-2-methoxypyridin-3-amine
SMILESC=CCCC(CC)Nc1cccnc1OC
InChIInChI=1S/C13H20N2O/c1-4-6-8-11(5-2)15-12-9-7-10-14-13(12)16-3/h4,7,9-11,15H,1,5-6,8H2,2-3H3
InChIKeyFBNAMVKDMMRAEY-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.25
Rot. Bonds7

About N-hept-6-en-3-yl-2-methoxypyridin-3-amine

N-hept-6-en-3-yl-2-methoxypyridin-3-amine (PubChem CID 115922090) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-hept-6-en-3-yl-2-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-hept-6-en-3-yl-2-methoxypyridin-3-amine
PubChem CID115922090
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-hept-6-en-3-yl-2-methoxypyridin-3-amine
SMILESC=CCCC(CC)Nc1cccnc1OC
InChIInChI=1S/C13H20N2O/c1-4-6-8-11(5-2)15-12-9-7-10-14-13(12)16-3/h4,7,9-11,15H,1,5-6,8H2,2-3H3
InChIKeyFBNAMVKDMMRAEY-UHFFFAOYSA-N
XLogP3.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43721830
2-methoxy-N-(1-phenylbutyl)pyridin-3-amine
CID 43721710
2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine
CID 103388537
N-(2-ethylbutyl)-2-methoxypyridin-3-amine
CID 43721784
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]pyridin-3-amine
CID 92977511
2-methoxy-N-(4-methylpentan-2-yl)pyridin-3-amine
CID 43721890
2-methoxy-N-(1-phenylpropan-2-yl)pyridin-3-amine
CID 55148980
N-(1-cyclopropylethyl)-2-methoxypyridin-3-amine
CID 43721910
2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
CID 62854131
2-methoxy-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43721891
3-N-hexan-3-yl-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103096852
N-butan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 61374234

Frequently Asked Questions

What is the IUPAC name of N-hept-6-en-3-yl-2-methoxypyridin-3-amine?
The IUPAC name of N-hept-6-en-3-yl-2-methoxypyridin-3-amine (CID 115922090) is N-hept-6-en-3-yl-2-methoxypyridin-3-amine.
What is the SMILES notation for N-hept-6-en-3-yl-2-methoxypyridin-3-amine?
The canonical SMILES for N-hept-6-en-3-yl-2-methoxypyridin-3-amine is C=CCCC(CC)Nc1cccnc1OC.
What is the InChIKey of N-hept-6-en-3-yl-2-methoxypyridin-3-amine?
The InChIKey is FBNAMVKDMMRAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-6-8-11(5-2)15-12-9-7-10-14-13(12)16-3/h4,7,9-11,15H,1,5-6,8H2,2-3H3.
What are the key properties of N-hept-6-en-3-yl-2-methoxypyridin-3-amine?
N-hept-6-en-3-yl-2-methoxypyridin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-en-3-yl-2-methoxypyridin-3-amine is sourced from PubChem (CID 115922090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).