N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine

C11H18N2O — CID 83007735

IUPACN-[(5-methylfuran-2-yl)methyl]piperidin-1-amine
SMILESCc1ccc(CNN2CCCCC2)o1
InChIInChI=1S/C11H18N2O/c1-10-5-6-11(14-10)9-12-13-7-3-2-4-8-13/h5-6,12H,2-4,7-9H2,1H3
InChIKeyWQSFYSWVCYVOLW-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.08
Rot. Bonds3

About N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine

N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine (PubChem CID 83007735) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]piperidin-1-amine
PubChem CID83007735
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[(5-methylfuran-2-yl)methyl]piperidin-1-amine
SMILESCc1ccc(CNN2CCCCC2)o1
InChIInChI=1S/C11H18N2O/c1-10-5-6-11(14-10)9-12-13-7-3-2-4-8-13/h5-6,12H,2-4,7-9H2,1H3
InChIKeyWQSFYSWVCYVOLW-UHFFFAOYSA-N
XLogP2.08
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(piperidin-1-ylamino)methyl]furan-2-yl]methanol
CID 83007473
2,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrrol-1-amine
CID 79100351
N-[(5-methylfuran-2-yl)methyl]-1-[4-(piperidin-1-ylmethyl)phenyl]methanamine
CID 119163966
N-[[4-[(piperidin-1-ylamino)methyl]phenyl]methyl]piperidin-1-amine
CID 24896832
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957579
1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129353
cyclopropane;ethane;2-ethyl-5-methylfuran
CID 142234007
[5-[[(4-methylpiperazin-1-yl)amino]methyl]furan-2-yl]methanol
CID 83009491
N-[(5-methylfuran-2-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676423
1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid
CID 17486432
N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62523033
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]morpholin-4-amine
CID 83009821

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine (CID 83007735) is N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine is Cc1ccc(CNN2CCCCC2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine?
The InChIKey is WQSFYSWVCYVOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10-5-6-11(14-10)9-12-13-7-3-2-4-8-13/h5-6,12H,2-4,7-9H2,1H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine?
N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine has a molecular weight of 194.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]piperidin-1-amine is sourced from PubChem (CID 83007735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).