N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine

C18H26N2O — CID 83009139

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine
SMILESCCCCc1oc2ccccc2c1CNN1CCCCC1
InChIInChI=1S/C18H26N2O/c1-2-3-10-18-16(14-19-20-12-7-4-8-13-20)15-9-5-6-11-17(15)21-18/h5-6,9,11,19H,2-4,7-8,10,12-14H2,1H3
InChIKeyLPGUERXCZAVIRE-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.27
Rot. Bonds6

About N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine

N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine (PubChem CID 83009139) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine
PubChem CID83009139
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine
SMILESCCCCc1oc2ccccc2c1CNN1CCCCC1
InChIInChI=1S/C18H26N2O/c1-2-3-10-18-16(14-19-20-12-7-4-8-13-20)15-9-5-6-11-17(15)21-18/h5-6,9,11,19H,2-4,7-8,10,12-14H2,1H3
InChIKeyLPGUERXCZAVIRE-UHFFFAOYSA-N
XLogP4.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-butyl-1-benzofuran-3-yl)methyl]butan-2-amine
CID 43392136
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylpentan-3-amine
CID 106328362
3-[(piperidin-1-ylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103261159
(2-butyl-1-benzofuran-3-yl)methanamine
CID 43492779
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-cyclopropylethanamine
CID 43400232
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982938
N-[(2-butyl-1-benzofuran-3-yl)methyl]pyrimidin-5-amine
CID 107588194
methyl 2-[(2-butyl-1-benzofuran-3-yl)methylamino]acetate
CID 43494618
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43392179
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43392217
N-[(2-butyl-1-benzofuran-3-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295422

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine (CID 83009139) is N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine is CCCCc1oc2ccccc2c1CNN1CCCCC1.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine?
The InChIKey is LPGUERXCZAVIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-3-10-18-16(14-19-20-12-7-4-8-13-20)15-9-5-6-11-17(15)21-18/h5-6,9,11,19H,2-4,7-8,10,12-14H2,1H3.
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine?
N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]piperidin-1-amine is sourced from PubChem (CID 83009139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).