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

C13H21NO2 — CID 81403572

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
SMILESC[C@@H](NC1CCOC(C)(C)C1)c1ccco1
InChIInChI=1S/C13H21NO2/c1-10(12-5-4-7-15-12)14-11-6-8-16-13(2,3)9-11/h4-5,7,10-11,14H,6,8-9H2,1-3H3/t10-,11?/m1/s1
InChIKeyZEXNZXNOJTZVPM-NFJWQWPMSA-N
MW223.32 g/mol
LogP2.89
Rot. Bonds3

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

N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine (PubChem CID 81403572) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
PubChem CID81403572
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
SMILESC[C@@H](NC1CCOC(C)(C)C1)c1ccco1
InChIInChI=1S/C13H21NO2/c1-10(12-5-4-7-15-12)14-11-6-8-16-13(2,3)9-11/h4-5,7,10-11,14H,6,8-9H2,1-3H3/t10-,11?/m1/s1
InChIKeyZEXNZXNOJTZVPM-NFJWQWPMSA-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

N-[(1S)-1-(furan-2-yl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 81399877
N-[1-(furan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79894899
(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 756075
N-[1-(furan-2-yl)ethyl]-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79894827
N-[1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895765
N-[(1S)-1-(furan-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81400625
2,2-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373174
N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033874
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 81380158
N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032780
2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine
CID 83033464
N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033287

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine (CID 81403572) is N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine is C[C@@H](NC1CCOC(C)(C)C1)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine?
The InChIKey is ZEXNZXNOJTZVPM-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(12-5-4-7-15-12)14-11-6-8-16-13(2,3)9-11/h4-5,7,10-11,14H,6,8-9H2,1-3H3/t10-,11?/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine?
N-[(1R)-1-(furan-2-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-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 81403572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).