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

C17H32N2O — CID 79481377

IUPACN-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
SMILESCCC(C)CN(CC)Cc1cc(CNCC(C)C)co1
InChIInChI=1S/C17H32N2O/c1-6-15(5)11-19(7-2)12-17-8-16(13-20-17)10-18-9-14(3)4/h8,13-15,18H,6-7,9-12H2,1-5H3
InChIKeyJCNAYOTYUFRQOO-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.89
Rot. Bonds10

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

N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine (PubChem CID 79481377) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
PubChem CID79481377
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
SMILESCCC(C)CN(CC)Cc1cc(CNCC(C)C)co1
InChIInChI=1S/C17H32N2O/c1-6-15(5)11-19(7-2)12-17-8-16(13-20-17)10-18-9-14(3)4/h8,13-15,18H,6-7,9-12H2,1-5H3
InChIKeyJCNAYOTYUFRQOO-UHFFFAOYSA-N
XLogP3.89
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481155
N-[[5-[[ethyl(2-methylprop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417078
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 62421990
2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62428706
N-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62423538
N-ethyl-2-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62419772
2-methyl-N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63209130
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]ethanamine
CID 63940661
2-methyl-N-[[5-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62426165
N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62418480
N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62420328
N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 103490491

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine (CID 79481377) is N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine is CCC(C)CN(CC)Cc1cc(CNCC(C)C)co1.
What is the InChIKey of N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The InChIKey is JCNAYOTYUFRQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-6-15(5)11-19(7-2)12-17-8-16(13-20-17)10-18-9-14(3)4/h8,13-15,18H,6-7,9-12H2,1-5H3.
What are the key properties of N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine?
N-ethyl-2-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 3.89, 10 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-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 79481377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).