4-(aminomethyl)oxane-4-carbohydrazide

C7H15N3O2 — CID 115439594

IUPAC4-(aminomethyl)oxane-4-carbohydrazide
SMILESNCC1(C(=O)NN)CCOCC1
InChIInChI=1S/C7H15N3O2/c8-5-7(6(11)10-9)1-3-12-4-2-7/h1-5,8-9H2,(H,10,11)
InChIKeySBFCKSIATFGDIY-UHFFFAOYSA-N
MW173.22 g/mol
LogP-1.27
Rot. Bonds2

About 4-(aminomethyl)oxane-4-carbohydrazide

4-(aminomethyl)oxane-4-carbohydrazide (PubChem CID 115439594) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 4-(aminomethyl)oxane-4-carbohydrazide.

Molecular Properties

Compound Name4-(aminomethyl)oxane-4-carbohydrazide
PubChem CID115439594
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name4-(aminomethyl)oxane-4-carbohydrazide
SMILESNCC1(C(=O)NN)CCOCC1
InChIInChI=1S/C7H15N3O2/c8-5-7(6(11)10-9)1-3-12-4-2-7/h1-5,8-9H2,(H,10,11)
InChIKeySBFCKSIATFGDIY-UHFFFAOYSA-N
XLogP-1.27
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219096
(2S)-4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836511
4-(aminomethyl)-N-cyclopropylsulfonyloxane-4-carboxamide
CID 103308370
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747
4-(aminomethyl)-N-(3-methylpentan-3-yl)oxane-4-carboxamide
CID 114174162
4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide
CID 62117621
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 113310101
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]propanoate
CID 115439497
4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide
CID 115438973
3-[[4-(aminomethyl)oxane-4-carbonyl]amino]-3-methylbutanoic acid
CID 113310140
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]butanoate;hydrochloride
CID 120922194
4-(aminomethyl)-N-(6-methylheptan-2-yl)oxane-4-carboxamide;hydrochloride
CID 120917393

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)oxane-4-carbohydrazide?
The IUPAC name of 4-(aminomethyl)oxane-4-carbohydrazide (CID 115439594) is 4-(aminomethyl)oxane-4-carbohydrazide.
What is the SMILES notation for 4-(aminomethyl)oxane-4-carbohydrazide?
The canonical SMILES for 4-(aminomethyl)oxane-4-carbohydrazide is NCC1(C(=O)NN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)oxane-4-carbohydrazide?
The InChIKey is SBFCKSIATFGDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c8-5-7(6(11)10-9)1-3-12-4-2-7/h1-5,8-9H2,(H,10,11).
What are the key properties of 4-(aminomethyl)oxane-4-carbohydrazide?
4-(aminomethyl)oxane-4-carbohydrazide has a molecular weight of 173.22 g/mol, XLogP of -1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)oxane-4-carbohydrazide is sourced from PubChem (CID 115439594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).