methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate

C15H26N2O3 — CID 79661260

IUPACmethyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate
SMILESCCCN(Cc1ccc(C(=O)OC)o1)CC(C)(C)CN
InChIInChI=1S/C15H26N2O3/c1-5-8-17(11-15(2,3)10-16)9-12-6-7-13(20-12)14(18)19-4/h6-7H,5,8-11,16H2,1-4H3
InChIKeyHNPCNLTUPFLILM-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.26
Rot. Bonds8

About methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate

methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate (PubChem CID 79661260) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate
PubChem CID79661260
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate
SMILESCCCN(Cc1ccc(C(=O)OC)o1)CC(C)(C)CN
InChIInChI=1S/C15H26N2O3/c1-5-8-17(11-15(2,3)10-16)9-12-6-7-13(20-12)14(18)19-4/h6-7H,5,8-11,16H2,1-4H3
InChIKeyHNPCNLTUPFLILM-UHFFFAOYSA-N
XLogP2.26
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

4-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]benzamide
CID 79662080
methyl 5-[[benzyl(ethyl)amino]methyl]furan-2-carboxylate
CID 78807669
2,2-dimethyl-N'-propyl-N'-[(4-trimethylsilylphenyl)methyl]propane-1,3-diamine
CID 103438203
methyl 5-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012233
methyl 5-[[bis(furan-2-ylmethyl)amino]methyl]furan-2-carboxylate
CID 24714243
methyl 5-[[(3-methoxy-3-oxopropyl)-methylamino]methyl]furan-2-carboxylate
CID 62012653
methyl 5-[[(2-amino-2-oxoethyl)-propan-2-ylamino]methyl]furan-2-carboxylate
CID 38561013
N'-[[3-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668545
N'-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79662014
methyl 5-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-carboxylate
CID 78807510
2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol
CID 79668470
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate (CID 79661260) is methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate is CCCN(Cc1ccc(C(=O)OC)o1)CC(C)(C)CN.
What is the InChIKey of methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate?
The InChIKey is HNPCNLTUPFLILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-8-17(11-15(2,3)10-16)9-12-6-7-13(20-12)14(18)19-4/h6-7H,5,8-11,16H2,1-4H3.
What are the key properties of methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate?
methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 79661260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).