N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide

C9H19NO2 — CID 163913933

IUPACN-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide
SMILESC=C(CCC)[NH+]([O-])O[C@@H](C)CC
InChIInChI=1S/C9H19NO2/c1-5-7-8(3)10(11)12-9(4)6-2/h9-10H,3,5-7H2,1-2,4H3/t9-/m0/s1
InChIKeyQUPGPAOSBIYLKR-VIFPVBQESA-N
MW173.26 g/mol
LogP1.41
Rot. Bonds6

About N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide

N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide (PubChem CID 163913933) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide
PubChem CID163913933
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide
SMILESC=C(CCC)[NH+]([O-])O[C@@H](C)CC
InChIInChI=1S/C9H19NO2/c1-5-7-8(3)10(11)12-9(4)6-2/h9-10H,3,5-7H2,1-2,4H3/t9-/m0/s1
InChIKeyQUPGPAOSBIYLKR-VIFPVBQESA-N
XLogP1.41
TPSA36.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pent-1-en-2-yloxypropan-1-ol
CID 141336115
2-butan-2-yloxyprop-2-enoic acid
CID 87059295
methane;hexakis(2-methylpent-1-ene)
CID 175346690
methane;2-methoxybutane
CID 162124465
4-methylideneheptan-3-one
CID 13485259
butan-2-ol;2-prop-1-en-2-yloxybutane
CID 159582124
4,5-dimethylideneoctane
CID 13294231
2,3-dimethyl-4-methylideneheptane
CID 123725003
CID 19979451
CID 19979451
2-butan-2-yloxybutane;ethanol
CID 88614162
N-hydroxybut-1-en-2-amine oxide
CID 163830558
1-O-[(2R)-butan-2-yl] 9-O-[(2S)-butan-2-yl] nonanedioate
CID 92532862

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide?
The IUPAC name of N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide (CID 163913933) is N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide.
What is the SMILES notation for N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide?
The canonical SMILES for N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide is C=C(CCC)[NH+]([O-])O[C@@H](C)CC.
What is the InChIKey of N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide?
The InChIKey is QUPGPAOSBIYLKR-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7-8(3)10(11)12-9(4)6-2/h9-10H,3,5-7H2,1-2,4H3/t9-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide?
N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide has a molecular weight of 173.26 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]oxypent-1-en-2-amine oxide is sourced from PubChem (CID 163913933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).