(1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine

C13H21NO2 — CID 99776711

IUPAC(1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine
SMILESCO[C@@H]1[C@H](C)[C@@H](NCc2ccco2)C1(C)C
InChIInChI=1S/C13H21NO2/c1-9-11(13(2,3)12(9)15-4)14-8-10-6-5-7-16-10/h5-7,9,11-12,14H,8H2,1-4H3/t9-,11-,12-/m1/s1
InChIKeyZJCUTXLXUUMOQV-YUSALJHKSA-N
MW223.32 g/mol
LogP2.43
Rot. Bonds4

About (1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine

(1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine (PubChem CID 99776711) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine.

Molecular Properties

Compound Name(1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine
PubChem CID99776711
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine
SMILESCO[C@@H]1[C@H](C)[C@@H](NCc2ccco2)C1(C)C
InChIInChI=1S/C13H21NO2/c1-9-11(13(2,3)12(9)15-4)14-8-10-6-5-7-16-10/h5-7,9,11-12,14H,8H2,1-4H3/t9-,11-,12-/m1/s1
InChIKeyZJCUTXLXUUMOQV-YUSALJHKSA-N
XLogP2.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-2,3-dimethylcyclopentan-1-amine
CID 64908204
N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915639
(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865
N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 2863086
(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753866
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
N-(furan-2-ylmethyl)-3-methyloxan-4-amine
CID 130173705
1-(furan-2-ylmethyl)-2-methylhydrazine
CID 119094029
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632427
N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665299
N-(furan-2-ylmethyl)-2-methoxy-4-nitroaniline
CID 43720039
N-[2-(furan-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104870790

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine?
The IUPAC name of (1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine (CID 99776711) is (1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine.
What is the SMILES notation for (1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine?
The canonical SMILES for (1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine is CO[C@@H]1[C@H](C)[C@@H](NCc2ccco2)C1(C)C.
What is the InChIKey of (1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine?
The InChIKey is ZJCUTXLXUUMOQV-YUSALJHKSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-11(13(2,3)12(9)15-4)14-8-10-6-5-7-16-10/h5-7,9,11-12,14H,8H2,1-4H3/t9-,11-,12-/m1/s1.
What are the key properties of (1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine?
(1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R)-N-(furan-2-ylmethyl)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine is sourced from PubChem (CID 99776711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).