[1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine

C13H28N2O3 — CID 105246420

IUPAC[1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
SMILESCCOC(OCC)C(CCCC1CCCO1)NN
InChIInChI=1S/C13H28N2O3/c1-3-16-13(17-4-2)12(15-14)9-5-7-11-8-6-10-18-11/h11-13,15H,3-10,14H2,1-2H3
InChIKeyKREXJJDHDOYLTD-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.57
Rot. Bonds10

About [1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine

[1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine (PubChem CID 105246420) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is [1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
PubChem CID105246420
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name[1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
SMILESCCOC(OCC)C(CCCC1CCCO1)NN
InChIInChI=1S/C13H28N2O3/c1-3-16-13(17-4-2)12(15-14)9-5-7-11-8-6-10-18-11/h11-13,15H,3-10,14H2,1-2H3
InChIKeyKREXJJDHDOYLTD-UHFFFAOYSA-N
XLogP1.57
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethoxy-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 79496181
[1-cyclopropyl-1-ethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105273156
[5-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 105219692
[5-(oxolan-2-yl)-1-propan-2-yloxypentan-2-yl]hydrazine
CID 105314014
5-ethoxy-6,6-dimethyl-1-(oxolan-2-yl)-N-propylheptan-4-amine
CID 116726030
N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 65164663
[1-ethylsulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105225409
[6-methoxy-6-methyl-1-(oxolan-2-yl)heptan-4-yl]hydrazine
CID 103025357
[1-(1-ethoxycycloheptyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105278474
[4-methyl-1-(oxolan-2-yl)heptan-3-yl]hydrazine
CID 105314328
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
N,5,6-trimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 104993166

Frequently Asked Questions

What is the IUPAC name of [1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine?
The IUPAC name of [1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine (CID 105246420) is [1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine.
What is the SMILES notation for [1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine?
The canonical SMILES for [1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine is CCOC(OCC)C(CCCC1CCCO1)NN.
What is the InChIKey of [1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine?
The InChIKey is KREXJJDHDOYLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-3-16-13(17-4-2)12(15-14)9-5-7-11-8-6-10-18-11/h11-13,15H,3-10,14H2,1-2H3.
What are the key properties of [1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine?
[1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine has a molecular weight of 260.38 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-diethoxy-5-(oxolan-2-yl)pentan-2-yl]hydrazine is sourced from PubChem (CID 105246420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).