N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine

C17H32N2O — CID 79481157

IUPACN-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
SMILESCCC(C)CN(CC)Cc1cc(C)c(CNC(C)C)o1
InChIInChI=1S/C17H32N2O/c1-7-14(5)11-19(8-2)12-16-9-15(6)17(20-16)10-18-13(3)4/h9,13-14,18H,7-8,10-12H2,1-6H3
InChIKeyLDVDYNHSWADVQR-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.95
Rot. Bonds9

About N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine

N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine (PubChem CID 79481157) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
PubChem CID79481157
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
SMILESCCC(C)CN(CC)Cc1cc(C)c(CNC(C)C)o1
InChIInChI=1S/C17H32N2O/c1-7-14(5)11-19(8-2)12-16-9-15(6)17(20-16)10-18-13(3)4/h9,13-14,18H,7-8,10-12H2,1-6H3
InChIKeyLDVDYNHSWADVQR-UHFFFAOYSA-N
XLogP3.95
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine with MolForge

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Related Compounds

N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62462848
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481155
N-ethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62425039
N,4-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431400
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55074830
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63939305
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62420942
N-ethyl-2-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62417469
N-[[5-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 63940268
N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine
CID 82753900
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]propane-1,2-diamine
CID 103191687
N-[[5-[[ethyl(propyl)amino]methyl]-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421419

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine (CID 79481157) is N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine is CCC(C)CN(CC)Cc1cc(C)c(CNC(C)C)o1.
What is the InChIKey of N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
The InChIKey is LDVDYNHSWADVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-7-14(5)11-19(8-2)12-16-9-15(6)17(20-16)10-18-13(3)4/h9,13-14,18H,7-8,10-12H2,1-6H3.
What are the key properties of N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine?
N-ethyl-2-methyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine has a molecular weight of 280.46 g/mol, XLogP of 3.95, 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-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 79481157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).