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

C16H28N2O — CID 62423418

IUPACN-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC1CC(C)CN(Cc2ccoc2CNC(C)C)C1
InChIInChI=1S/C16H28N2O/c1-12(2)17-8-16-15(5-6-19-16)11-18-9-13(3)7-14(4)10-18/h5-6,12-14,17H,7-11H2,1-4H3
InChIKeyBZPYGNDNRVLXLU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.26
Rot. Bonds5

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

N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (PubChem CID 62423418) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
PubChem CID62423418
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
SMILESCC1CC(C)CN(Cc2ccoc2CNC(C)C)C1
InChIInChI=1S/C16H28N2O/c1-12(2)17-8-16-15(5-6-19-16)11-18-9-13(3)7-14(4)10-18/h5-6,12-14,17H,7-11H2,1-4H3
InChIKeyBZPYGNDNRVLXLU-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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]-2-methylpropan-1-amine
CID 62423949
N,N,4-trimethyl-1-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]pyrrolidin-3-amine
CID 81469166
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62423950
N-[[3-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437907
N-[[3-(1,3-dihydroisoindol-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437647
N-[[3-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423440
N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 63620979
N-[[3-[(2-ethylmorpholin-4-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62434453
N-[[3-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-2-yl]methyl]propan-2-amine
CID 102728475
N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62439241
1-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)furan-2-yl]-N-methylmethanamine
CID 115562260
N-[[2-(1,3-dihydroisoindol-2-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62439140

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine (CID 62423418) is N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine is CC1CC(C)CN(Cc2ccoc2CNC(C)C)C1.
What is the InChIKey of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
The InChIKey is BZPYGNDNRVLXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)17-8-16-15(5-6-19-16)11-18-9-13(3)7-14(4)10-18/h5-6,12-14,17H,7-11H2,1-4H3.
What are the key properties of N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine?
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 3.26, 5 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]propan-2-amine is sourced from PubChem (CID 62423418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).