[4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine

C16H26N2O2 — CID 105217641

IUPAC[4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine
SMILESCOCCCC(NN)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H26N2O2/c1-19-11-5-8-15(18-17)16(9-12-20-13-10-16)14-6-3-2-4-7-14/h2-4,6-7,15,18H,5,8-13,17H2,1H3
InChIKeyYPESVXLDLUBSBD-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.99
Rot. Bonds7

About [4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine

[4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine (PubChem CID 105217641) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine
PubChem CID105217641
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine
SMILESCOCCCC(NN)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C16H26N2O2/c1-19-11-5-8-15(18-17)16(9-12-20-13-10-16)14-6-3-2-4-7-14/h2-4,6-7,15,18H,5,8-13,17H2,1H3
InChIKeyYPESVXLDLUBSBD-UHFFFAOYSA-N
XLogP1.99
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(4-phenyloxan-4-yl)pentan-1-amine
CID 63083756
[1-(4-phenyloxan-4-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105217651
[5-methyl-1-(1-phenylcyclopentyl)hexyl]hydrazine
CID 105217526
[4-methyl-1-(1-phenylcyclobutyl)pentyl]hydrazine
CID 105217243
4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine
CID 113230930
2-methoxy-1-(4-phenyloxan-4-yl)ethanol
CID 79566371
1-(1-phenylcyclobutyl)hex-5-ynylhydrazine
CID 105217339
1-(4-phenyloxan-4-yl)pentan-1-ol
CID 63083062
[4-methoxy-2-methyl-1-(1-phenylcyclobutyl)butyl]hydrazine
CID 105217255
N-ethyl-1-(4-phenyloxan-4-yl)-2-propoxyethanamine
CID 79578097
[4,4-dimethyl-1-(1-phenylcyclohexyl)pentyl]hydrazine
CID 105217567
[3-methyl-1-(1-phenylcyclopropyl)butyl]hydrazine
CID 105217001

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine?
The IUPAC name of [4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine (CID 105217641) is [4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine.
What is the SMILES notation for [4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine?
The canonical SMILES for [4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine is COCCCC(NN)C1(c2ccccc2)CCOCC1.
What is the InChIKey of [4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine?
The InChIKey is YPESVXLDLUBSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-11-5-8-15(18-17)16(9-12-20-13-10-16)14-6-3-2-4-7-14/h2-4,6-7,15,18H,5,8-13,17H2,1H3.
What are the key properties of [4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine?
[4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine has a molecular weight of 278.40 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(4-phenyloxan-4-yl)butyl]hydrazine is sourced from PubChem (CID 105217641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).