methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium

C7H16N2O — CID 88554159

IUPACmethanidyl-[2-(oxolan-3-ylamino)ethyl]azanium
SMILES[CH2-][NH2+]CCNC1CCOC1
InChIInChI=1S/C7H16N2O/c1-8-3-4-9-7-2-5-10-6-7/h7,9H,1-6,8H2
InChIKeyYHTUAWHZEZPEGY-UHFFFAOYSA-N
MW144.22 g/mol
LogP-1.28
Rot. Bonds4

About methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium

methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium (PubChem CID 88554159) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium.

Molecular Properties

Compound Namemethanidyl-[2-(oxolan-3-ylamino)ethyl]azanium
PubChem CID88554159
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Namemethanidyl-[2-(oxolan-3-ylamino)ethyl]azanium
SMILES[CH2-][NH2+]CCNC1CCOC1
InChIInChI=1S/C7H16N2O/c1-8-3-4-9-7-2-5-10-6-7/h7,9H,1-6,8H2
InChIKeyYHTUAWHZEZPEGY-UHFFFAOYSA-N
XLogP-1.28
TPSA37.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylamino)ethyl-methanidylazanium
CID 88554107
N'-(oxolan-3-yl)propane-1,3-diamine
CID 63335365
N-(2-methoxyethyl)oxolan-3-amine
CID 63331660
N-(3,3,3-trifluoropropyl)oxolan-3-amine
CID 63335110
N-(2-cyclopentylethyl)oxolan-3-amine
CID 63335422
N-(4-iodobutyl)oxolan-3-amine
CID 106844615
N-(4,4-dimethylpentyl)oxolan-3-amine
CID 115689448
N-(4-methoxybutyl)oxolan-3-amine
CID 63335646
2-[2-(oxolan-3-ylamino)ethoxy]ethanol
CID 63331737
N'-methyl-N-(oxolan-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 63335601
4-methyl-1-(oxolan-3-ylamino)pentan-3-ol
CID 115689581
(3S)-N-[3-(3-methylcyclobutyl)propyl]oxolan-3-amine
CID 167310676

Frequently Asked Questions

What is the IUPAC name of methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium?
The IUPAC name of methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium (CID 88554159) is methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium.
What is the SMILES notation for methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium?
The canonical SMILES for methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium is [CH2-][NH2+]CCNC1CCOC1.
What is the InChIKey of methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium?
The InChIKey is YHTUAWHZEZPEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-8-3-4-9-7-2-5-10-6-7/h7,9H,1-6,8H2.
What are the key properties of methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium?
methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium has a molecular weight of 144.22 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[2-(oxolan-3-ylamino)ethyl]azanium is sourced from PubChem (CID 88554159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).