cis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine

C11H17NO2 — CID 178197342

IUPACcis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine
SMILESCOCc1ccc([C@H]2[C@H](N)C2(C)C)o1
InChIInChI=1S/C11H17NO2/c1-11(2)9(10(11)12)8-5-4-7(14-8)6-13-3/h4-5,9-10H,6,12H2,1-3H3/t9-,10-/m0/s1
InChIKeyCXPBYGMNXKZDEV-UWVGGRQHSA-N
MW195.26 g/mol
LogP1.88
Rot. Bonds3

About cis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine

cis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine (PubChem CID 178197342) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is cis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine
PubChem CID178197342
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namecis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine
SMILESCOCc1ccc([C@H]2[C@H](N)C2(C)C)o1
InChIInChI=1S/C11H17NO2/c1-11(2)9(10(11)12)8-5-4-7(14-8)6-13-3/h4-5,9-10H,6,12H2,1-3H3/t9-,10-/m0/s1
InChIKeyCXPBYGMNXKZDEV-UWVGGRQHSA-N
XLogP1.88
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine
CID 55273586
(E)-3-[5-(methoxymethyl)furan-2-yl]prop-2-enenitrile
CID 131243022
5-(methoxymethyl)furan-2-carbothioamide
CID 127005352
2-(ethenoxymethyl)-5-(methoxymethyl)furan
CID 147170567
2-cyclohexyl-1-[5-(methoxymethyl)furan-2-yl]ethanamine
CID 113461702
chromium;formaldehyde;2-(methoxymethyl)-5-methylfuran
CID 173392423
N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylcyclobutan-1-amine
CID 115711073
methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate
CID 124573623
N-[(E)-[5-(methoxymethyl)furan-2-yl]methylideneamino]-N-methylmethanamine
CID 130370019
5-(methoxymethyl)furan-2-carboximidamide
CID 130995486
4-[[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 99858079
5-(methoxymethyl)furan-2-carbonyl chloride
CID 45081463

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of cis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine (CID 178197342) is cis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine is COCc1ccc([C@H]2[C@H](N)C2(C)C)o1.
What is the InChIKey of cis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine?
The InChIKey is CXPBYGMNXKZDEV-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2)9(10(11)12)8-5-4-7(14-8)6-13-3/h4-5,9-10H,6,12H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of cis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine?
cis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine has a molecular weight of 195.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[5-(methoxymethyl)furan-2-yl]-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 178197342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).