2-(oxan-4-yl)ethylazanium

C7H16NO+ — CID 7022154

IUPAC2-(oxan-4-yl)ethylazanium
SMILES[NH3+]CCC1CCOCC1
InChIInChI=1S/C7H15NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6,8H2/p+1
InChIKeyBZMADPOGYCRPAI-UHFFFAOYSA-O
MW130.21 g/mol
LogP0.05
Rot. Bonds2

About 2-(oxan-4-yl)ethylazanium

2-(oxan-4-yl)ethylazanium (PubChem CID 7022154) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-(oxan-4-yl)ethylazanium.

Molecular Properties

Compound Name2-(oxan-4-yl)ethylazanium
PubChem CID7022154
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name2-(oxan-4-yl)ethylazanium
SMILES[NH3+]CCC1CCOCC1
InChIInChI=1S/C7H15NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6,8H2/p+1
InChIKeyBZMADPOGYCRPAI-UHFFFAOYSA-O
XLogP0.05
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(oxan-4-yl)ethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[2-(oxan-4-yl)ethyl]silane
CID 164606403
3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride
CID 126845734
oxan-4-ylmethanol
CID 2773573
[2-(oxan-4-yl)ethylamino]methanethiol
CID 115228335
(2R)-4-(oxan-4-yl)butan-2-ol
CID 94422374
(2S)-4-(oxan-4-yl)butan-2-ol
CID 94422373
1-cyclopropyl-3-(oxan-4-yl)propan-1-ol
CID 63357856
4-(2,2-dideuterio-4,4-dimethylpentyl)oxane
CID 118901717
N,2-dimethyl-4-(oxan-4-yl)butan-2-amine
CID 84660262
1-(oxan-4-yl)pentan-3-amine
CID 62386440
4-(4-chloro-3-methylbutyl)oxane
CID 64664613
3-ethyloxolane
CID 10996972

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)ethylazanium?
The IUPAC name of 2-(oxan-4-yl)ethylazanium (CID 7022154) is 2-(oxan-4-yl)ethylazanium.
What is the SMILES notation for 2-(oxan-4-yl)ethylazanium?
The canonical SMILES for 2-(oxan-4-yl)ethylazanium is [NH3+]CCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)ethylazanium?
The InChIKey is BZMADPOGYCRPAI-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15NO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6,8H2/p+1.
What are the key properties of 2-(oxan-4-yl)ethylazanium?
2-(oxan-4-yl)ethylazanium has a molecular weight of 130.21 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)ethylazanium is sourced from PubChem (CID 7022154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).