4-(heptoxymethyl)pyridin-2-amine

C13H22N2O — CID 62465689

IUPAC4-(heptoxymethyl)pyridin-2-amine
SMILESCCCCCCCOCc1ccnc(N)c1
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-9-16-11-12-7-8-15-13(14)10-12/h7-8,10H,2-6,9,11H2,1H3,(H2,14,15)
InChIKeyYRABTCZOHOUZTG-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.15
Rot. Bonds8

About 4-(heptoxymethyl)pyridin-2-amine

4-(heptoxymethyl)pyridin-2-amine (PubChem CID 62465689) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(heptoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(heptoxymethyl)pyridin-2-amine
PubChem CID62465689
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-(heptoxymethyl)pyridin-2-amine
SMILESCCCCCCCOCc1ccnc(N)c1
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-9-16-11-12-7-8-15-13(14)10-12/h7-8,10H,2-6,9,11H2,1H3,(H2,14,15)
InChIKeyYRABTCZOHOUZTG-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-propoxyethoxymethyl)pyridin-2-amine
CID 63684235
[4-(octoxymethyl)-2-pyridinyl]hydrazine
CID 62465557
4-(dodecoxymethyl)pyridine
CID 175554630
4-(pentoxymethyl)pyridine-2-carbonitrile
CID 63884240
4-[(3-methoxy-3-methylbutoxy)methyl]pyridin-2-amine
CID 106667203
[4-(propoxymethyl)-2-pyridinyl]methanamine
CID 63887669
4-(2,2-dimethoxyethoxymethyl)pyridin-2-amine
CID 171796381
5-(butoxymethyl)pyridin-2-amine
CID 62195711
1-(hexoxymethyl)-3-methylbenzene
CID 91805813
4-[(methoxyamino)methyl]pyridin-2-amine
CID 131155794
ethane;4-ethylpyridin-2-amine
CID 144736585
4-(2-methylbutan-2-yloxymethyl)pyridin-2-amine
CID 62465833

Frequently Asked Questions

What is the IUPAC name of 4-(heptoxymethyl)pyridin-2-amine?
The IUPAC name of 4-(heptoxymethyl)pyridin-2-amine (CID 62465689) is 4-(heptoxymethyl)pyridin-2-amine.
What is the SMILES notation for 4-(heptoxymethyl)pyridin-2-amine?
The canonical SMILES for 4-(heptoxymethyl)pyridin-2-amine is CCCCCCCOCc1ccnc(N)c1.
What is the InChIKey of 4-(heptoxymethyl)pyridin-2-amine?
The InChIKey is YRABTCZOHOUZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-4-5-6-9-16-11-12-7-8-15-13(14)10-12/h7-8,10H,2-6,9,11H2,1H3,(H2,14,15).
What are the key properties of 4-(heptoxymethyl)pyridin-2-amine?
4-(heptoxymethyl)pyridin-2-amine has a molecular weight of 222.33 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(heptoxymethyl)pyridin-2-amine is sourced from PubChem (CID 62465689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).