N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine

C17H30N2O — CID 62423949

IUPACN-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1occc1CN1CC(C)CC(C)C1
InChIInChI=1S/C17H30N2O/c1-13(2)8-18-9-17-16(5-6-20-17)12-19-10-14(3)7-15(4)11-19/h5-6,13-15,18H,7-12H2,1-4H3
InChIKeyZEMHVKOKRMLYMW-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.50
Rot. Bonds6

About N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine

N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62423949) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID62423949
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1occc1CN1CC(C)CC(C)C1
InChIInChI=1S/C17H30N2O/c1-13(2)8-18-9-17-16(5-6-20-17)12-19-10-14(3)7-15(4)11-19/h5-6,13-15,18H,7-12H2,1-4H3
InChIKeyZEMHVKOKRMLYMW-UHFFFAOYSA-N
XLogP3.50
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423418
N-[[3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 103540003
2-methyl-N-[[2-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114540092
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62423950
N-[[3-[(2,5-dimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62431715
N-[[3-[(2,2-dimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62433499
N-[[2-[(2,4-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62431404
N-[[3-[(5-ethyl-2-methylmorpholin-4-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62461599
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417686
N-[[2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63619462
N-[[3-(cyclohexyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62445379
N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62458623

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine (CID 62423949) is N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1occc1CN1CC(C)CC(C)C1.
What is the InChIKey of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZEMHVKOKRMLYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(2)8-18-9-17-16(5-6-20-17)12-19-10-14(3)7-15(4)11-19/h5-6,13-15,18H,7-12H2,1-4H3.
What are the key properties of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62423949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).