3-methyl-1-(oxan-2-yl)but-2-en-1-amine

C10H19NO — CID 105004859

IUPAC3-methyl-1-(oxan-2-yl)but-2-en-1-amine
SMILESCC(C)=CC(N)C1CCCCO1
InChIInChI=1S/C10H19NO/c1-8(2)7-9(11)10-5-3-4-6-12-10/h7,9-10H,3-6,11H2,1-2H3
InChIKeyHREZWLMWDAUYAH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds2

About 3-methyl-1-(oxan-2-yl)but-2-en-1-amine

3-methyl-1-(oxan-2-yl)but-2-en-1-amine (PubChem CID 105004859) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-1-(oxan-2-yl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(oxan-2-yl)but-2-en-1-amine
PubChem CID105004859
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-1-(oxan-2-yl)but-2-en-1-amine
SMILESCC(C)=CC(N)C1CCCCO1
InChIInChI=1S/C10H19NO/c1-8(2)7-9(11)10-5-3-4-6-12-10/h7,9-10H,3-6,11H2,1-2H3
InChIKeyHREZWLMWDAUYAH-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(4-methylmorpholin-2-yl)but-2-en-1-amine
CID 79180293
bis(oxan-2-yl)methanol
CID 173021788
3-methyl-1-(2-methylcyclohexyl)but-2-en-1-amine
CID 131181781
[4-methyl-1-(oxan-2-yl)pent-3-en-2-yl]hydrazine
CID 105267573
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
2-(dimethoxymethyl)oxane
CID 101048405
3-hydroxy-2-methyl-3-(oxan-2-yl)propanoic acid
CID 67731056
(1R)-1-[(2S)-oxan-2-yl]prop-2-yn-1-amine
CID 124573145
(2R)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 124662505
(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 102227489
2-amino-4-methyl-1-(oxolan-2-yl)pentan-1-ol
CID 82837323
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-methylbut-2-en-1-amine
CID 105004863

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-2-yl)but-2-en-1-amine?
The IUPAC name of 3-methyl-1-(oxan-2-yl)but-2-en-1-amine (CID 105004859) is 3-methyl-1-(oxan-2-yl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-1-(oxan-2-yl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-1-(oxan-2-yl)but-2-en-1-amine is CC(C)=CC(N)C1CCCCO1.
What is the InChIKey of 3-methyl-1-(oxan-2-yl)but-2-en-1-amine?
The InChIKey is HREZWLMWDAUYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)7-9(11)10-5-3-4-6-12-10/h7,9-10H,3-6,11H2,1-2H3.
What are the key properties of 3-methyl-1-(oxan-2-yl)but-2-en-1-amine?
3-methyl-1-(oxan-2-yl)but-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-2-yl)but-2-en-1-amine is sourced from PubChem (CID 105004859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).