[4-[(E)-but-2-enyl]oxan-4-yl]methanamine

C10H19NO — CID 130514910

IUPAC[4-[(E)-but-2-enyl]oxan-4-yl]methanamine
SMILESC/C=C/CC1(CN)CCOCC1
InChIInChI=1S/C10H19NO/c1-2-3-4-10(9-11)5-7-12-8-6-10/h2-3H,4-9,11H2,1H3/b3-2+
InChIKeyRVDLSGWXRWZBAV-NSCUHMNNSA-N
MW169.27 g/mol
LogP1.71
Rot. Bonds3

About [4-[(E)-but-2-enyl]oxan-4-yl]methanamine

[4-[(E)-but-2-enyl]oxan-4-yl]methanamine (PubChem CID 130514910) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is [4-[(E)-but-2-enyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(E)-but-2-enyl]oxan-4-yl]methanamine
PubChem CID130514910
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name[4-[(E)-but-2-enyl]oxan-4-yl]methanamine
SMILESC/C=C/CC1(CN)CCOCC1
InChIInChI=1S/C10H19NO/c1-2-3-4-10(9-11)5-7-12-8-6-10/h2-3H,4-9,11H2,1H3/b3-2+
InChIKeyRVDLSGWXRWZBAV-NSCUHMNNSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine
CID 143143722
2-(2-Methoxyethyl)-2-prop-2-enylpent-4-en-1-amine
CID 170682416
4-[(6-Methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
CID 62455921
(E)-4-(oxan-4-yl)but-3-en-1-amine
CID 63968644
4-(Oxan-4-yl)but-3-en-1-amine
CID 76996984
2-(Oxan-4-ylmethylidene)butan-1-amine
CID 79323187
3-Methyl-2-(oxan-4-ylmethylidene)butan-1-amine
CID 79324032
5-(Oxan-4-yl)pent-3-en-1-amine
CID 79593362
(E)-6-(oxan-4-yl)hex-5-en-2-amine
CID 84111040
(E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine
CID 104586335
(4-Prop-2-enyloxan-4-yl)methanamine
CID 130477423
(4-But-3-en-2-yloxan-4-yl)methanamine
CID 130514911

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-but-2-enyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[(E)-but-2-enyl]oxan-4-yl]methanamine (CID 130514910) is [4-[(E)-but-2-enyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[(E)-but-2-enyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[(E)-but-2-enyl]oxan-4-yl]methanamine is C/C=C/CC1(CN)CCOCC1.
What is the InChIKey of [4-[(E)-but-2-enyl]oxan-4-yl]methanamine?
The InChIKey is RVDLSGWXRWZBAV-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-10(9-11)5-7-12-8-6-10/h2-3H,4-9,11H2,1H3/b3-2+.
What are the key properties of [4-[(E)-but-2-enyl]oxan-4-yl]methanamine?
[4-[(E)-but-2-enyl]oxan-4-yl]methanamine has a molecular weight of 169.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-but-2-enyl]oxan-4-yl]methanamine is sourced from PubChem (CID 130514910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).