N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine

C15H26N2O — CID 113408576

IUPACN-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCCCc1ccco1
InChIInChI=1S/C15H26N2O/c1-14(13-17-10-3-2-4-11-17)16-9-5-7-15-8-6-12-18-15/h6,8,12,14,16H,2-5,7,9-11,13H2,1H3
InChIKeyBYPJQJYGBWDHQL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.68
Rot. Bonds7

About N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine

N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 113408576) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID113408576
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCCCc1ccco1
InChIInChI=1S/C15H26N2O/c1-14(13-17-10-3-2-4-11-17)16-9-5-7-15-8-6-12-18-15/h6,8,12,14,16H,2-5,7,9-11,13H2,1H3
InChIKeyBYPJQJYGBWDHQL-UHFFFAOYSA-N
XLogP2.68
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.68
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-(furan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 43749052
1-[3-(furan-2-yl)propyl]piperidine
CID 162740839
N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111354281
N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61221225
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
3-(furan-2-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 83962730
4-(furan-2-yl)-N-(2-morpholin-4-ylethyl)butan-2-amine
CID 43393721
N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
CID 61470742
N-[1-(furan-2-yl)propan-2-yl]piperidin-1-amine
CID 83006470
(2R)-1-(azepan-1-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 95196963
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine (CID 113408576) is N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine is CC(CN1CCCCC1)NCCCc1ccco1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is BYPJQJYGBWDHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14(13-17-10-3-2-4-11-17)16-9-5-7-15-8-6-12-18-15/h6,8,12,14,16H,2-5,7,9-11,13H2,1H3.
What are the key properties of N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine?
N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 113408576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).