N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine

C13H21N3O — CID 63887848

IUPACN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine
SMILESCN(Cc1ccnc(CN)c1)C1CCOCC1
InChIInChI=1S/C13H21N3O/c1-16(13-3-6-17-7-4-13)10-11-2-5-15-12(8-11)9-14/h2,5,8,13H,3-4,6-7,9-10,14H2,1H3
InChIKeyAVKSWAMSOXSSND-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.15
Rot. Bonds4

About N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine

N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine (PubChem CID 63887848) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine
PubChem CID63887848
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine
SMILESCN(Cc1ccnc(CN)c1)C1CCOCC1
InChIInChI=1S/C13H21N3O/c1-16(13-3-6-17-7-4-13)10-11-2-5-15-12(8-11)9-14/h2,5,8,13H,3-4,6-7,9-10,14H2,1H3
InChIKeyAVKSWAMSOXSSND-UHFFFAOYSA-N
XLogP1.15
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine?
The IUPAC name of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine (CID 63887848) is N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine is CN(Cc1ccnc(CN)c1)C1CCOCC1.
What is the InChIKey of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine?
The InChIKey is AVKSWAMSOXSSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(13-3-6-17-7-4-13)10-11-2-5-15-12(8-11)9-14/h2,5,8,13H,3-4,6-7,9-10,14H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine?
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine is sourced from PubChem (CID 63887848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).