N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine

C14H24N2O — CID 62424704

IUPACN-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN1CCCCC1
InChIInChI=1S/C14H24N2O/c1-2-7-15-11-14-13(6-10-17-14)12-16-8-4-3-5-9-16/h6,10,15H,2-5,7-9,11-12H2,1H3
InChIKeyCQSKWUJHHJHELS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.77
Rot. Bonds6

About N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine

N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62424704) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62424704
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN1CCCCC1
InChIInChI=1S/C14H24N2O/c1-2-7-15-11-14-13(6-10-17-14)12-16-8-4-3-5-9-16/h6,10,15H,2-5,7-9,11-12H2,1H3
InChIKeyCQSKWUJHHJHELS-UHFFFAOYSA-N
XLogP2.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.77
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-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
CID 63978913
N-[[3-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 107456302
N-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
CID 62439019
N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 83061390
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439899
N-[[2-(2-pyrrolidin-1-ylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62458419
N-[[3-(1,4-thiazepan-4-ylmethyl)furan-2-yl]methyl]ethanamine
CID 55069141
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55070158
N-[[2-(azocan-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62417686
N-[[3-(2,3-dihydroindol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62423399
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55069752
N-[[3-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423440

Frequently Asked Questions

What is the IUPAC name of N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine (CID 62424704) is N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1CN1CCCCC1.
What is the InChIKey of N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is CQSKWUJHHJHELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-7-15-11-14-13(6-10-17-14)12-16-8-4-3-5-9-16/h6,10,15H,2-5,7-9,11-12H2,1H3.
What are the key properties of N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62424704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).