[2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine

C15H31N3O — CID 107139611

IUPAC[2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(CC)(C(NN)C1CCCOC1)N1CCCC1
InChIInChI=1S/C15H31N3O/c1-3-15(4-2,18-9-5-6-10-18)14(17-16)13-8-7-11-19-12-13/h13-14,17H,3-12,16H2,1-2H3
InChIKeyDTILMIHEPFNPED-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.90
Rot. Bonds6

About [2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine

[2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine (PubChem CID 107139611) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is [2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine
PubChem CID107139611
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name[2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine
SMILESCCC(CC)(C(NN)C1CCCOC1)N1CCCC1
InChIInChI=1S/C15H31N3O/c1-3-15(4-2,18-9-5-6-10-18)14(17-16)13-8-7-11-19-12-13/h13-14,17H,3-12,16H2,1-2H3
InChIKeyDTILMIHEPFNPED-UHFFFAOYSA-N
XLogP1.90
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,2-diethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 107136588
(1-cyclopentyl-2-ethyl-2-pyrrolidin-1-ylbutyl)hydrazine
CID 105242115
[1-(3,4-dimethylcyclohexyl)-2-ethyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105242205
2-methyl-1-(oxan-3-yl)-2-piperidin-1-yl-N-propylpropan-1-amine
CID 107136554
(1-cyclopentyl-2-methyl-2-pyrrolidin-1-ylbutyl)hydrazine
CID 105241054
[3-methyl-1-(oxan-3-yl)pentyl]hydrazine
CID 105230031
2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 79051831
[3-ethyl-1-(oxan-3-yl)pentyl]hydrazine
CID 105230093
(4-ethyl-2,2-dimethyl-4-pyrrolidin-1-ylhexan-3-yl)hydrazine
CID 105242234
N,2-diethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79057396
bis(oxan-3-yl)methanamine
CID 107136437

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine?
The IUPAC name of [2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine (CID 107139611) is [2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine.
What is the SMILES notation for [2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine?
The canonical SMILES for [2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine is CCC(CC)(C(NN)C1CCCOC1)N1CCCC1.
What is the InChIKey of [2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine?
The InChIKey is DTILMIHEPFNPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-15(4-2,18-9-5-6-10-18)14(17-16)13-8-7-11-19-12-13/h13-14,17H,3-12,16H2,1-2H3.
What are the key properties of [2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine?
[2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine has a molecular weight of 269.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylbutyl]hydrazine is sourced from PubChem (CID 107139611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).