CID 135034340

C4H10N2O+ — CID 135034340

IUPAC—
SMILES[NH2+]N1CCOCC1
InChIInChI=1S/C4H10N2O/c5-6-1-3-7-4-2-6/h1-5H2/q+1
InChIKeyOOICLUOWTGMQKX-UHFFFAOYSA-N
MW102.14 g/mol
LogP-1.74
Rot. Bonds

About CID 135034340

CID 135034340 (PubChem CID 135034340) has the molecular formula C4H10N2O+ and a molecular weight of 102.14 g/mol.

Molecular Properties

Compound NameCID 135034340
PubChem CID135034340
Molecular FormulaC4H10N2O+
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name—
SMILES[NH2+]N1CCOCC1
InChIInChI=1S/C4H10N2O/c5-6-1-3-7-4-2-6/h1-5H2/q+1
InChIKeyOOICLUOWTGMQKX-UHFFFAOYSA-N
XLogP-1.74
TPSA37.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1,4,7-dioxazonan-7-amine
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CID 21839
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CID 23689698
ethane;4-methylmorpholine
CID 54432133
morpholin-4-ylaluminum(2+) dichloride
CID 174418482
4-morpholin-4-yloxymorpholine;dihydrochloride
CID 174483627
4,7,13,16,20,23-hexaoxa-1,10-diazabicyclo[8.8.6]tetracosane
CID 58981463
lithium;4-methylmorpholine;chloride
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Frequently Asked Questions

What is the IUPAC name of CID 135034340?
The IUPAC name of CID 135034340 (CID 135034340) is not available.
What is the SMILES notation for CID 135034340?
The canonical SMILES for CID 135034340 is [NH2+]N1CCOCC1.
What is the InChIKey of CID 135034340?
The InChIKey is OOICLUOWTGMQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c5-6-1-3-7-4-2-6/h1-5H2/q+1.
What are the key properties of CID 135034340?
CID 135034340 has a molecular weight of 102.14 g/mol, XLogP of -1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135034340 is sourced from PubChem (CID 135034340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).