N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

C16H28N2O — CID 62439197

IUPACN-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1cc(CN2CCC(C)CC2)oc1CNC(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)17-10-16-14(4)9-15(19-16)11-18-7-5-13(3)6-8-18/h9,12-13,17H,5-8,10-11H2,1-4H3
InChIKeyYNWMVYFRVYCYRS-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.32
Rot. Bonds5

About N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine

N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 62439197) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID62439197
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCc1cc(CN2CCC(C)CC2)oc1CNC(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)17-10-16-14(4)9-15(19-16)11-18-7-5-13(3)6-8-18/h9,12-13,17H,5-8,10-11H2,1-4H3
InChIKeyYNWMVYFRVYCYRS-UHFFFAOYSA-N
XLogP3.32
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 63621667
N-[[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
CID 79934395
N-[[5-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63627373
N-[[5-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 55069819
N-[[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62439093
1-[5-(azepan-1-ylmethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62438729
N-[[5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 114413435
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 64730648
3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 43621030
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62445758
N-ethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]cyclohexanamine
CID 62425039
N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55074054

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (CID 62439197) is N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is Cc1cc(CN2CCC(C)CC2)oc1CNC(C)C.
What is the InChIKey of N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is YNWMVYFRVYCYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)17-10-16-14(4)9-15(19-16)11-18-7-5-13(3)6-8-18/h9,12-13,17H,5-8,10-11H2,1-4H3.
What are the key properties of N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62439197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).