4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine

C9H20N2O2 — CID 62539718

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine
SMILESCOCCNC1(CN)CCOCC1
InChIInChI=1S/C9H20N2O2/c1-12-7-4-11-9(8-10)2-5-13-6-3-9/h11H,2-8,10H2,1H3
InChIKeySNQKENYZJVNLGO-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.27
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine

4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine (PubChem CID 62539718) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine
PubChem CID62539718
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine
SMILESCOCCNC1(CN)CCOCC1
InChIInChI=1S/C9H20N2O2/c1-12-7-4-11-9(8-10)2-5-13-6-3-9/h11H,2-8,10H2,1H3
InChIKeySNQKENYZJVNLGO-UHFFFAOYSA-N
XLogP-0.27
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 106299632
4-(aminomethyl)-N-prop-2-ynyloxan-4-amine
CID 65379972
N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide
CID 114170087
4-(aminomethyl)-N-methyloxan-4-amine;hydrochloride
CID 72942834
[4-(2-methoxyethyl)oxan-4-yl]methanamine
CID 25220540
1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 62542038
2-[[3-(aminomethyl)oxolan-3-yl]amino]ethanol;ethane
CID 144870956
3-(2-methoxyethylamino)oxolane-3-carbonitrile
CID 63335677
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate
CID 104563587
4-(2-methoxyethyl)oxan-4-amine
CID 63220638
3-(aminomethyl)-N-but-3-ynyloxolan-3-amine
CID 116641093
[4-(3-aminopropylamino)oxan-4-yl]methanol
CID 106297046

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine (CID 62539718) is 4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine is COCCNC1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine?
The InChIKey is SNQKENYZJVNLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-12-7-4-11-9(8-10)2-5-13-6-3-9/h11H,2-8,10H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine?
4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine has a molecular weight of 188.27 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)oxan-4-amine is sourced from PubChem (CID 62539718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).