N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine

C14H27NO — CID 163665254

IUPACN-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine
SMILESCC/C=C(\C(C)C)N(CC)C1CCOCC1
InChIInChI=1S/C14H27NO/c1-5-7-14(12(3)4)15(6-2)13-8-10-16-11-9-13/h7,12-13H,5-6,8-11H2,1-4H3/b14-7+
InChIKeyIXVZNBGDOLCEMW-VGOFMYFVSA-N
MW225.38 g/mol
LogP3.44
Rot. Bonds5

About N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine

N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine (PubChem CID 163665254) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine
PubChem CID163665254
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine
SMILESCC/C=C(\C(C)C)N(CC)C1CCOCC1
InChIInChI=1S/C14H27NO/c1-5-7-14(12(3)4)15(6-2)13-8-10-16-11-9-13/h7,12-13H,5-6,8-11H2,1-4H3/b14-7+
InChIKeyIXVZNBGDOLCEMW-VGOFMYFVSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine?
The IUPAC name of N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine (CID 163665254) is N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine.
What is the SMILES notation for N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine?
The canonical SMILES for N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine is CC/C=C(\C(C)C)N(CC)C1CCOCC1.
What is the InChIKey of N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine?
The InChIKey is IXVZNBGDOLCEMW-VGOFMYFVSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-7-14(12(3)4)15(6-2)13-8-10-16-11-9-13/h7,12-13H,5-6,8-11H2,1-4H3/b14-7+.
What are the key properties of N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine?
N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine has a molecular weight of 225.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(E)-2-methylhex-3-en-3-yl]oxan-4-amine is sourced from PubChem (CID 163665254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).