N,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine

C12H19NO — CID 15892766

IUPACN,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine
SMILESC=C(CN(CC)CC)c1occc1C
InChIInChI=1S/C12H19NO/c1-5-13(6-2)9-11(4)12-10(3)7-8-14-12/h7-8H,4-6,9H2,1-3H3
InChIKeyCOXXBJDBTWNPPD-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.94
Rot. Bonds5

About N,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine

N,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine (PubChem CID 15892766) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine
PubChem CID15892766
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine
SMILESC=C(CN(CC)CC)c1occc1C
InChIInChI=1S/C12H19NO/c1-5-13(6-2)9-11(4)12-10(3)7-8-14-12/h7-8H,4-6,9H2,1-3H3
InChIKeyCOXXBJDBTWNPPD-UHFFFAOYSA-N
XLogP2.94
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine?
The IUPAC name of N,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine (CID 15892766) is N,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine.
What is the SMILES notation for N,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine?
The canonical SMILES for N,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine is C=C(CN(CC)CC)c1occc1C.
What is the InChIKey of N,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine?
The InChIKey is COXXBJDBTWNPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-13(6-2)9-11(4)12-10(3)7-8-14-12/h7-8H,4-6,9H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine?
N,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methylfuran-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 15892766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).