N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine

C17H32N2O — CID 62426314

IUPACN,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
SMILESCC(C)CNCc1ccc(CN(C)C(C)C(C)(C)C)o1
InChIInChI=1S/C17H32N2O/c1-13(2)10-18-11-15-8-9-16(20-15)12-19(7)14(3)17(4,5)6/h8-9,13-14,18H,10-12H2,1-7H3
InChIKeyFJNHOJUUCHXYLW-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.89
Rot. Bonds7

About N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine

N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine (PubChem CID 62426314) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
PubChem CID62426314
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine
SMILESCC(C)CNCc1ccc(CN(C)C(C)C(C)(C)C)o1
InChIInChI=1S/C17H32N2O/c1-13(2)10-18-11-15-8-9-16(20-15)12-19(7)14(3)17(4,5)6/h8-9,13-14,18H,10-12H2,1-7H3
InChIKeyFJNHOJUUCHXYLW-UHFFFAOYSA-N
XLogP3.89
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

N,3-dimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62462201
2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79858301
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpropan-2-amine
CID 62424825
N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62461260
N-ethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopentanamine
CID 62422313
N'-ethyl-N,N-dimethyl-N'-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]propane-1,3-diamine
CID 102997637
N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 64520094
N-butyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431088
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
CID 50999742
N-(2-methoxyethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62434875
N-[[5-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-methylbutan-2-amine
CID 62418488
2-methyl-N-[[5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461209

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine?
The IUPAC name of N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine (CID 62426314) is N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine is CC(C)CNCc1ccc(CN(C)C(C)C(C)(C)C)o1.
What is the InChIKey of N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine?
The InChIKey is FJNHOJUUCHXYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(2)10-18-11-15-8-9-16(20-15)12-19(7)14(3)17(4,5)6/h8-9,13-14,18H,10-12H2,1-7H3.
What are the key properties of N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine?
N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine has a molecular weight of 280.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 62426314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).