N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine

C17H31N3O — CID 62546318

IUPACN,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine
SMILESCC(C)CNCc1coc(CN(C)C2CCCN(C)C2)c1
InChIInChI=1S/C17H31N3O/c1-14(2)9-18-10-15-8-17(21-13-15)12-20(4)16-6-5-7-19(3)11-16/h8,13-14,16,18H,5-7,9-12H2,1-4H3
InChIKeyANLJHOOPIDVSAG-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.55
Rot. Bonds7

About N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine

N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine (PubChem CID 62546318) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine
PubChem CID62546318
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC NameN,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine
SMILESCC(C)CNCc1coc(CN(C)C2CCCN(C)C2)c1
InChIInChI=1S/C17H31N3O/c1-14(2)9-18-10-15-8-17(21-13-15)12-20(4)16-6-5-7-19(3)11-16/h8,13-14,16,18H,5-7,9-12H2,1-4H3
InChIKeyANLJHOOPIDVSAG-UHFFFAOYSA-N
XLogP2.55
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62423538
2-methyl-N-[[5-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63209130
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 63274233
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423916
N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine
CID 62547704
N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine
CID 62547703
N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine
CID 62547549
2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62428706
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
N-[[5-[[cyclopropyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62418527
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
2-methyl-N-[[5-[(2-methylmorpholin-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439121

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine?
The IUPAC name of N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine (CID 62546318) is N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine.
What is the SMILES notation for N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine?
The canonical SMILES for N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine is CC(C)CNCc1coc(CN(C)C2CCCN(C)C2)c1.
What is the InChIKey of N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine?
The InChIKey is ANLJHOOPIDVSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14(2)9-18-10-15-8-17(21-13-15)12-20(4)16-6-5-7-19(3)11-16/h8,13-14,16,18H,5-7,9-12H2,1-4H3.
What are the key properties of N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine?
N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine has a molecular weight of 293.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[[4-[(2-methylpropylamino)methyl]furan-2-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 62546318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).