N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine

C14H23NO — CID 144610641

IUPACN-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine
SMILESC=C/C(C)=C(\C=C)N(CC)C1CCOCC1
InChIInChI=1S/C14H23NO/c1-5-12(4)14(6-2)15(7-3)13-8-10-16-11-9-13/h5-6,13H,1-2,7-11H2,3-4H3/b14-12+
InChIKeyUXIVVYOPYCDTRL-WYMLVPIESA-N
MW221.34 g/mol
LogP3.13
Rot. Bonds5

About N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine

N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine (PubChem CID 144610641) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine
PubChem CID144610641
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine
SMILESC=C/C(C)=C(\C=C)N(CC)C1CCOCC1
InChIInChI=1S/C14H23NO/c1-5-12(4)14(6-2)15(7-3)13-8-10-16-11-9-13/h5-6,13H,1-2,7-11H2,3-4H3/b14-12+
InChIKeyUXIVVYOPYCDTRL-WYMLVPIESA-N
XLogP3.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[(3E)-2-methylpenta-1,3-dien-3-yl]oxan-4-amine
CID 130346796
N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine
CID 134473571
N-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxan-4-amine
CID 139317767
N-(2-methylpropyl)-N-[(2E)-penta-2,4-dien-2-yl]oxan-4-amine
CID 142383697
ethane;N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine
CID 142389470
N-ethyl-N-(4-methylpenta-1,3-dien-3-yl)oxan-4-amine
CID 144610740
N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine
CID 144610774
N-ethyl-N-[(3E)-2-methylhexa-1,3-dien-3-yl]oxan-4-amine
CID 166871542
N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine
CID 170054123
N-ethyl-N-[(3E)-2,5,6-trimethylhepta-1,3,5-trien-4-yl]oxan-4-amine
CID 142389471

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine?
The IUPAC name of N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine (CID 144610641) is N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine.
What is the SMILES notation for N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine?
The canonical SMILES for N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine is C=C/C(C)=C(\C=C)N(CC)C1CCOCC1.
What is the InChIKey of N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine?
The InChIKey is UXIVVYOPYCDTRL-WYMLVPIESA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12(4)14(6-2)15(7-3)13-8-10-16-11-9-13/h5-6,13H,1-2,7-11H2,3-4H3/b14-12+.
What are the key properties of N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine?
N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine has a molecular weight of 221.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxan-4-amine is sourced from PubChem (CID 144610641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).