N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine

C11H19NO3 — CID 79493173

IUPACN-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine
SMILESCCCNC(c1ccco1)C(OC)OC
InChIInChI=1S/C11H19NO3/c1-4-7-12-10(11(13-2)14-3)9-6-5-8-15-9/h5-6,8,10-12H,4,7H2,1-3H3
InChIKeyVDPKGOBLAFOVCA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.94
Rot. Bonds7

About N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine

N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine (PubChem CID 79493173) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine
PubChem CID79493173
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine
SMILESCCCNC(c1ccco1)C(OC)OC
InChIInChI=1S/C11H19NO3/c1-4-7-12-10(11(13-2)14-3)9-6-5-8-15-9/h5-6,8,10-12H,4,7H2,1-3H3
InChIKeyVDPKGOBLAFOVCA-UHFFFAOYSA-N
XLogP1.94
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-N,2-dipropylpentan-1-amine
CID 82984685
N-[2,2-dimethoxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79493375
3-(furan-2-yl)-3-(propylamino)propan-1-ol
CID 64814709
1-(furan-2-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103027180
N-[1-(furan-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574726
N-[1-(2,3-dichlorophenyl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493376
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79069851
1-[furan-2-yl(propylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79080475
2-(dipropoxymethyl)furan
CID 14296431
2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine
CID 116759333
N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495568
N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 54920080

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine (CID 79493173) is N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine is CCCNC(c1ccco1)C(OC)OC.
What is the InChIKey of N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine?
The InChIKey is VDPKGOBLAFOVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-7-12-10(11(13-2)14-3)9-6-5-8-15-9/h5-6,8,10-12H,4,7H2,1-3H3.
What are the key properties of N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine?
N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine has a molecular weight of 213.28 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2,2-dimethoxyethyl]propan-1-amine is sourced from PubChem (CID 79493173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).