N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine

C16H30N2O — CID 79481155

IUPACN-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
SMILESCCC(C)CN(CC)Cc1cc(CNC(C)C)co1
InChIInChI=1S/C16H30N2O/c1-6-14(5)10-18(7-2)11-16-8-15(12-19-16)9-17-13(3)4/h8,12-14,17H,6-7,9-11H2,1-5H3
InChIKeyCGRZPJXQYIDYJS-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.65
Rot. Bonds9

About N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine

N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine (PubChem CID 79481155) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
PubChem CID79481155
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
SMILESCCC(C)CN(CC)Cc1cc(CNC(C)C)co1
InChIInChI=1S/C16H30N2O/c1-6-14(5)10-18(7-2)11-16-8-15(12-19-16)9-17-13(3)4/h8,12-14,17H,6-7,9-11H2,1-5H3
InChIKeyCGRZPJXQYIDYJS-UHFFFAOYSA-N
XLogP3.65
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine with MolForge

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Related Compounds

N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481377
N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62418480
N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79488811
N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481157
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 62420162
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 62421990
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]prop-2-en-1-amine
CID 113498791
N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62428170
N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417078
N-[[5-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62433273
N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62420328
N-methyl-3-methylsulfanyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 114238247

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine (CID 79481155) is N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine is CCC(C)CN(CC)Cc1cc(CNC(C)C)co1.
What is the InChIKey of N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The InChIKey is CGRZPJXQYIDYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-6-14(5)10-18(7-2)11-16-8-15(12-19-16)9-17-13(3)4/h8,12-14,17H,6-7,9-11H2,1-5H3.
What are the key properties of N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 79481155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).