methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate

C15H23NO3 — CID 107001357

IUPACmethyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate
SMILESCCCNC(c1ccc(C(=O)OC)o1)C1CC1(C)C
InChIInChI=1S/C15H23NO3/c1-5-8-16-13(10-9-15(10,2)3)11-6-7-12(19-11)14(17)18-4/h6-7,10,13,16H,5,8-9H2,1-4H3
InChIKeyQODBVPWIMSJKIK-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.15
Rot. Bonds6

About methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate

methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate (PubChem CID 107001357) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate
PubChem CID107001357
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate
SMILESCCCNC(c1ccc(C(=O)OC)o1)C1CC1(C)C
InChIInChI=1S/C15H23NO3/c1-5-8-16-13(10-9-15(10,2)3)11-6-7-12(19-11)14(17)18-4/h6-7,10,13,16H,5,8-9H2,1-4H3
InChIKeyQODBVPWIMSJKIK-UHFFFAOYSA-N
XLogP3.15
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine
CID 107001178
methyl 5-[2-methylsulfonyl-1-(propylamino)propyl]furan-2-carboxylate
CID 104519069
methyl 5-[(5-methylfuran-3-yl)-(propylamino)methyl]furan-2-carboxylate
CID 114820388
methyl 5-[1-(propylamino)-2-(2,2,2-trifluoroethoxy)ethyl]furan-2-carboxylate
CID 103207844
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate
CID 103246824
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901
methyl 5-(1-butylsulfanylethyl)furan-2-carboxylate
CID 112726651
methyl 5-[(2,5-dichlorothiophen-3-yl)-(propylamino)methyl]furan-2-carboxylate
CID 107961236
N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 107001090
methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate
CID 103250815
methyl 5-[1-[(2-amino-2-oxoethyl)-ethylamino]ethyl]furan-2-carboxylate
CID 103102938

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate (CID 107001357) is methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate is CCCNC(c1ccc(C(=O)OC)o1)C1CC1(C)C.
What is the InChIKey of methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate?
The InChIKey is QODBVPWIMSJKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-8-16-13(10-9-15(10,2)3)11-6-7-12(19-11)14(17)18-4/h6-7,10,13,16H,5,8-9H2,1-4H3.
What are the key properties of methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate?
methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate has a molecular weight of 265.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 107001357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).