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

C16H28N2O — CID 62412126

IUPACN-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(CN2CCCC(C)C2C)c1
InChIInChI=1S/C16H28N2O/c1-4-7-17-10-15-9-16(19-12-15)11-18-8-5-6-13(2)14(18)3/h9,12-14,17H,4-8,10-11H2,1-3H3
InChIKeyIRIVMADDYIFDCF-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.40
Rot. Bonds6

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

N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62412126) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62412126
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(CN2CCCC(C)C2C)c1
InChIInChI=1S/C16H28N2O/c1-4-7-17-10-15-9-16(19-12-15)11-18-8-5-6-13(2)14(18)3/h9,12-14,17H,4-8,10-11H2,1-3H3
InChIKeyIRIVMADDYIFDCF-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]furan-3-yl]methyl]propan-1-amine
CID 62888715
[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 62412124
N-[[5-[(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62427917
N-[[5-[(2-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 83062404
5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 55054227
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
CID 131020830
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 65324282
N-[[5-[(4-methylcyclohexyl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 62446230
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62420838
N-[[5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 106316636
N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 104692369

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (CID 62412126) is N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1coc(CN2CCCC(C)C2C)c1.
What is the InChIKey of N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is IRIVMADDYIFDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-7-17-10-15-9-16(19-12-15)11-18-8-5-6-13(2)14(18)3/h9,12-14,17H,4-8,10-11H2,1-3H3.
What are the key properties of N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62412126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).