[3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine

C14H29N3O — CID 105239519

IUPAC[3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
SMILESCC(C)(C(CC1CCOCC1)NN)N1CCCC1
InChIInChI=1S/C14H29N3O/c1-14(2,17-7-3-4-8-17)13(16-15)11-12-5-9-18-10-6-12/h12-13,16H,3-11,15H2,1-2H3
InChIKeyKQRWASOVIDKSEL-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.51
Rot. Bonds5

About [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine

[3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine (PubChem CID 105239519) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
PubChem CID105239519
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name[3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
SMILESCC(C)(C(CC1CCOCC1)NN)N1CCCC1
InChIInChI=1S/C14H29N3O/c1-14(2,17-7-3-4-8-17)13(16-15)11-12-5-9-18-10-6-12/h12-13,16H,3-11,15H2,1-2H3
InChIKeyKQRWASOVIDKSEL-UHFFFAOYSA-N
XLogP1.51
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
The IUPAC name of [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine (CID 105239519) is [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
The canonical SMILES for [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine is CC(C)(C(CC1CCOCC1)NN)N1CCCC1.
What is the InChIKey of [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
The InChIKey is KQRWASOVIDKSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-14(2,17-7-3-4-8-17)13(16-15)11-12-5-9-18-10-6-12/h12-13,16H,3-11,15H2,1-2H3.
What are the key properties of [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine?
[3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine has a molecular weight of 255.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 105239519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).