4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine

C14H27NO — CID 154952981

IUPAC4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine
SMILESC/C=C(/C(C)(C)C)C1(NCC)CCOCC1
InChIInChI=1S/C14H27NO/c1-6-12(13(3,4)5)14(15-7-2)8-10-16-11-9-14/h6,15H,7-11H2,1-5H3/b12-6-
InChIKeyWDPFONLOJLSXLO-SDQBBNPISA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds3

About 4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine

4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine (PubChem CID 154952981) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine.

Molecular Properties

Compound Name4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine
PubChem CID154952981
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine
SMILESC/C=C(/C(C)(C)C)C1(NCC)CCOCC1
InChIInChI=1S/C14H27NO/c1-6-12(13(3,4)5)14(15-7-2)8-10-16-11-9-14/h6,15H,7-11H2,1-5H3/b12-6-
InChIKeyWDPFONLOJLSXLO-SDQBBNPISA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine?
The IUPAC name of 4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine (CID 154952981) is 4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine.
What is the SMILES notation for 4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine?
The canonical SMILES for 4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine is C/C=C(/C(C)(C)C)C1(NCC)CCOCC1.
What is the InChIKey of 4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine?
The InChIKey is WDPFONLOJLSXLO-SDQBBNPISA-N. The full InChI is InChI=1S/C14H27NO/c1-6-12(13(3,4)5)14(15-7-2)8-10-16-11-9-14/h6,15H,7-11H2,1-5H3/b12-6-.
What are the key properties of 4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine?
4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine is sourced from PubChem (CID 154952981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).