N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine

C13H21NO2 — CID 83033874

IUPACN-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine
SMILESCC(NC1CCOC(C)(C)C1)c1ccoc1
InChIInChI=1S/C13H21NO2/c1-10(11-4-6-15-9-11)14-12-5-7-16-13(2,3)8-12/h4,6,9-10,12,14H,5,7-8H2,1-3H3
InChIKeyGQZANXNLEFSNCU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.89
Rot. Bonds3

About N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine

N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine (PubChem CID 83033874) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine
PubChem CID83033874
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine
SMILESCC(NC1CCOC(C)(C)C1)c1ccoc1
InChIInChI=1S/C13H21NO2/c1-10(11-4-6-15-9-11)14-12-5-7-16-13(2,3)8-12/h4,6,9-10,12,14H,5,7-8H2,1-3H3
InChIKeyGQZANXNLEFSNCU-UHFFFAOYSA-N
XLogP2.89
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 756075
N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032780
N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033287
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707073
2,2-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]oxan-4-amine
CID 106209442
2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373174
(3R)-N-[1-(furan-3-yl)ethyl]oxan-3-amine
CID 131084239
2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine
CID 83033464
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032784
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 81380158
(4R)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-2,2-dimethyloxan-4-amine
CID 40917163

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine (CID 83033874) is N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine is CC(NC1CCOC(C)(C)C1)c1ccoc1.
What is the InChIKey of N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine?
The InChIKey is GQZANXNLEFSNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(11-4-6-15-9-11)14-12-5-7-16-13(2,3)8-12/h4,6,9-10,12,14H,5,7-8H2,1-3H3.
What are the key properties of N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine?
N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 83033874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).