ethyl-[(4-methyloxan-4-yl)methyl]azanium

C9H20NO+ — CID 143821094

IUPACethyl-[(4-methyloxan-4-yl)methyl]azanium
SMILESCC[NH2+]CC1(C)CCOCC1
InChIInChI=1S/C9H19NO/c1-3-10-8-9(2)4-6-11-7-5-9/h10H,3-8H2,1-2H3/p+1
InChIKeyPVHBUYLCCLFIEN-UHFFFAOYSA-O
MW158.26 g/mol
LogP0.39
Rot. Bonds3

About ethyl-[(4-methyloxan-4-yl)methyl]azanium

ethyl-[(4-methyloxan-4-yl)methyl]azanium (PubChem CID 143821094) has the molecular formula C9H20NO+ and a molecular weight of 158.26 g/mol. Its IUPAC name is ethyl-[(4-methyloxan-4-yl)methyl]azanium.

Molecular Properties

Compound Nameethyl-[(4-methyloxan-4-yl)methyl]azanium
PubChem CID143821094
Molecular FormulaC9H20NO+
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Nameethyl-[(4-methyloxan-4-yl)methyl]azanium
SMILESCC[NH2+]CC1(C)CCOCC1
InChIInChI=1S/C9H19NO/c1-3-10-8-9(2)4-6-11-7-5-9/h10H,3-8H2,1-2H3/p+1
InChIKeyPVHBUYLCCLFIEN-UHFFFAOYSA-O
XLogP0.39
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Ethoxymethyl)piperidine
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Methyl((oxan-4-yl)methyl)amine hydrochloride
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4-Ethyltetrahydro-2H-pyran-4-methanamine
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Methyl(1-(oxan-4-yl)ethyl)amine
CID 57526871
4-[(2-Methylpropoxy)methyl]piperidine
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4-(Ethoxymethyl)piperidine hydrochloride
CID 17233801
4-[(2-Methylpropoxy)methyl]piperidine hydrochloride
CID 43810754
Tert-butyl[(oxan-4-yl)methyl]amine hydrochloride
CID 165942072
4-(Ethoxymethyl)-4-fluoropiperidine
CID 55295888
Tert-butyl[(oxan-4-yl)methyl]amine
CID 59743283

Frequently Asked Questions

What is the IUPAC name of ethyl-[(4-methyloxan-4-yl)methyl]azanium?
The IUPAC name of ethyl-[(4-methyloxan-4-yl)methyl]azanium (CID 143821094) is ethyl-[(4-methyloxan-4-yl)methyl]azanium.
What is the SMILES notation for ethyl-[(4-methyloxan-4-yl)methyl]azanium?
The canonical SMILES for ethyl-[(4-methyloxan-4-yl)methyl]azanium is CC[NH2+]CC1(C)CCOCC1.
What is the InChIKey of ethyl-[(4-methyloxan-4-yl)methyl]azanium?
The InChIKey is PVHBUYLCCLFIEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19NO/c1-3-10-8-9(2)4-6-11-7-5-9/h10H,3-8H2,1-2H3/p+1.
What are the key properties of ethyl-[(4-methyloxan-4-yl)methyl]azanium?
ethyl-[(4-methyloxan-4-yl)methyl]azanium has a molecular weight of 158.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(4-methyloxan-4-yl)methyl]azanium is sourced from PubChem (CID 143821094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).