(4-prop-2-enyloxan-4-yl)methanamine

C9H17NO — CID 130477423

IUPAC(4-prop-2-enyloxan-4-yl)methanamine
SMILESC=CCC1(CN)CCOCC1
InChIInChI=1S/C9H17NO/c1-2-3-9(8-10)4-6-11-7-5-9/h2H,1,3-8,10H2
InChIKeyQHDBVBGAGNEVHS-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.32
Rot. Bonds3

About (4-prop-2-enyloxan-4-yl)methanamine

(4-prop-2-enyloxan-4-yl)methanamine (PubChem CID 130477423) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4-prop-2-enyloxan-4-yl)methanamine.

Molecular Properties

Compound Name(4-prop-2-enyloxan-4-yl)methanamine
PubChem CID130477423
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4-prop-2-enyloxan-4-yl)methanamine
SMILESC=CCC1(CN)CCOCC1
InChIInChI=1S/C9H17NO/c1-2-3-9(8-10)4-6-11-7-5-9/h2H,1,3-8,10H2
InChIKeyQHDBVBGAGNEVHS-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.32
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

2-[2-(2-Methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682411
2-(2-Methoxyethyl)-2-prop-2-enylpent-4-en-1-amine
CID 170682416
2-(Methoxymethyl)-2-prop-2-enylpent-4-en-1-amine
CID 170682420
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682425
2-(2-Butoxyethyl)-2-methylbut-3-en-1-amine
CID 102640328
2-(2-Ethoxyethyl)-2-methylbut-3-en-1-amine
CID 102640350
2-Methyl-2-(2-propoxyethyl)but-3-en-1-amine
CID 106457324
N-[(4-methyloxan-4-yl)methyl]pent-4-en-1-amine
CID 107302805
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methylpent-4-en-1-amine
CID 116302913
[4-[(E)-3-chloroprop-2-enyl]oxan-4-yl]methanamine
CID 130514899
[4-[(E)-but-2-enyl]oxan-4-yl]methanamine
CID 130514910
(4-But-3-en-2-yloxan-4-yl)methanamine
CID 130514911

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enyloxan-4-yl)methanamine?
The IUPAC name of (4-prop-2-enyloxan-4-yl)methanamine (CID 130477423) is (4-prop-2-enyloxan-4-yl)methanamine.
What is the SMILES notation for (4-prop-2-enyloxan-4-yl)methanamine?
The canonical SMILES for (4-prop-2-enyloxan-4-yl)methanamine is C=CCC1(CN)CCOCC1.
What is the InChIKey of (4-prop-2-enyloxan-4-yl)methanamine?
The InChIKey is QHDBVBGAGNEVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-9(8-10)4-6-11-7-5-9/h2H,1,3-8,10H2.
What are the key properties of (4-prop-2-enyloxan-4-yl)methanamine?
(4-prop-2-enyloxan-4-yl)methanamine has a molecular weight of 155.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enyloxan-4-yl)methanamine is sourced from PubChem (CID 130477423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).