3-methyl-4-(oxan-3-yl)but-3-en-2-amine

C10H19NO — CID 103091888

IUPAC3-methyl-4-(oxan-3-yl)but-3-en-2-amine
SMILESCC(=CC1CCCOC1)C(C)N
InChIInChI=1S/C10H19NO/c1-8(9(2)11)6-10-4-3-5-12-7-10/h6,9-10H,3-5,7,11H2,1-2H3
InChIKeyPYGCBBRCMNFBFY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds2

About 3-methyl-4-(oxan-3-yl)but-3-en-2-amine

3-methyl-4-(oxan-3-yl)but-3-en-2-amine (PubChem CID 103091888) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-methyl-4-(oxan-3-yl)but-3-en-2-amine.

Molecular Properties

Compound Name3-methyl-4-(oxan-3-yl)but-3-en-2-amine
PubChem CID103091888
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-methyl-4-(oxan-3-yl)but-3-en-2-amine
SMILESCC(=CC1CCCOC1)C(C)N
InChIInChI=1S/C10H19NO/c1-8(9(2)11)6-10-4-3-5-12-7-10/h6,9-10H,3-5,7,11H2,1-2H3
InChIKeyPYGCBBRCMNFBFY-UHFFFAOYSA-N
XLogP1.71
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 ≤ 51.71
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-[(E)-3-chloro-2-methylprop-1-enyl]oxane
CID 79323120
3-(3-methyl-2-nitrobut-1-enyl)oxane
CID 115347625
3-[(E)-3-methylbut-1-enyl]oxane
CID 154695436
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
3-methyl-4-(oxolan-3-yl)-N-propylbut-3-en-2-amine
CID 103093573
(2E)-3-methyl-2-(oxolan-3-ylmethylidene)butan-1-amine
CID 79323519
1-(oxan-3-yl)propan-2-amine
CID 63737520
bis(oxan-3-yl)methanamine
CID 107136437
N-ethyl-2-(oxan-3-ylmethylidene)butan-1-amine
CID 115278079
2-cyano-3-(oxan-3-yl)prop-2-enoic acid
CID 77004731
3-(2-methoxyethenyl)oxane
CID 67314451
oxan-3-amine
CID 5200320

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxan-3-yl)but-3-en-2-amine?
The IUPAC name of 3-methyl-4-(oxan-3-yl)but-3-en-2-amine (CID 103091888) is 3-methyl-4-(oxan-3-yl)but-3-en-2-amine.
What is the SMILES notation for 3-methyl-4-(oxan-3-yl)but-3-en-2-amine?
The canonical SMILES for 3-methyl-4-(oxan-3-yl)but-3-en-2-amine is CC(=CC1CCCOC1)C(C)N.
What is the InChIKey of 3-methyl-4-(oxan-3-yl)but-3-en-2-amine?
The InChIKey is PYGCBBRCMNFBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(9(2)11)6-10-4-3-5-12-7-10/h6,9-10H,3-5,7,11H2,1-2H3.
What are the key properties of 3-methyl-4-(oxan-3-yl)but-3-en-2-amine?
3-methyl-4-(oxan-3-yl)but-3-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxan-3-yl)but-3-en-2-amine is sourced from PubChem (CID 103091888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).