N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine

C13H23NO — CID 130346796

IUPACN-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine
SMILESC=C(C)/C(=C\C)N(CC)C1CCOCC1
InChIInChI=1S/C13H23NO/c1-5-13(11(3)4)14(6-2)12-7-9-15-10-8-12/h5,12H,3,6-10H2,1-2,4H3/b13-5+
InChIKeyXIJCQXMQFYMIQH-WLRTZDKTSA-N
MW209.33 g/mol
LogP2.97
Rot. Bonds4

About N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine

N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine (PubChem CID 130346796) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine
PubChem CID130346796
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine
SMILESC=C(C)/C(=C\C)N(CC)C1CCOCC1
InChIInChI=1S/C13H23NO/c1-5-13(11(3)4)14(6-2)12-7-9-15-10-8-12/h5,12H,3,6-10H2,1-2,4H3/b13-5+
InChIKeyXIJCQXMQFYMIQH-WLRTZDKTSA-N
XLogP2.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine?
The IUPAC name of N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine (CID 130346796) is N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine.
What is the SMILES notation for N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine?
The canonical SMILES for N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine is C=C(C)/C(=C\C)N(CC)C1CCOCC1.
What is the InChIKey of N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine?
The InChIKey is XIJCQXMQFYMIQH-WLRTZDKTSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-13(11(3)4)14(6-2)12-7-9-15-10-8-12/h5,12H,3,6-10H2,1-2,4H3/b13-5+.
What are the key properties of N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine?
N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine has a molecular weight of 209.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine is sourced from PubChem (CID 130346796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).