N-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine

C12H23NO — CID 158696221

IUPACN-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine
SMILESC=C(C(C)C)N(CC)C1CCOCC1
InChIInChI=1S/C12H23NO/c1-5-13(11(4)10(2)3)12-6-8-14-9-7-12/h10,12H,4-9H2,1-3H3
InChIKeyZYECMBOEFGSVMG-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.66
Rot. Bonds4

About N-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine

N-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine (PubChem CID 158696221) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine
PubChem CID158696221
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine
SMILESC=C(C(C)C)N(CC)C1CCOCC1
InChIInChI=1S/C12H23NO/c1-5-13(11(4)10(2)3)12-6-8-14-9-7-12/h10,12H,4-9H2,1-3H3
InChIKeyZYECMBOEFGSVMG-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine?
The IUPAC name of N-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine (CID 158696221) is N-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine.
What is the SMILES notation for N-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine?
The canonical SMILES for N-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine is C=C(C(C)C)N(CC)C1CCOCC1.
What is the InChIKey of N-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine?
The InChIKey is ZYECMBOEFGSVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-13(11(4)10(2)3)12-6-8-14-9-7-12/h10,12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine?
N-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine has a molecular weight of 197.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylbut-1-en-2-yl)oxan-4-amine is sourced from PubChem (CID 158696221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).