N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine

C12H20N2O — CID 115118284

IUPACN-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine
SMILESCc1ccc(CCNC2CCCNC2)o1
InChIInChI=1S/C12H20N2O/c1-10-4-5-12(15-10)6-8-14-11-3-2-7-13-9-11/h4-5,11,13-14H,2-3,6-9H2,1H3
InChIKeyXWKWUMWBQAJHAJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.47
Rot. Bonds4

About N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine

N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine (PubChem CID 115118284) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine
PubChem CID115118284
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine
SMILESCc1ccc(CCNC2CCCNC2)o1
InChIInChI=1S/C12H20N2O/c1-10-4-5-12(15-10)6-8-14-11-3-2-7-13-9-11/h4-5,11,13-14H,2-3,6-9H2,1H3
InChIKeyXWKWUMWBQAJHAJ-UHFFFAOYSA-N
XLogP1.47
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidin-3-amine
CID 115118379
4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carbonitrile
CID 115150275
5-methyl-N-piperidin-3-ylfuran-2-carboxamide
CID 43603726
N-[(5-bromofuran-2-yl)methyl]piperidin-3-amine
CID 131204068
N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62523033
methyl 4-[2-(5-methylfuran-2-yl)ethylamino]cyclohexane-1-carboxylate
CID 115149306
N-cyclohexyl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 55085461
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
CID 115118227
N-ethylpiperidin-3-amine
CID 21278340
N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119069
N-(3-propoxypropyl)piperidin-3-amine
CID 82939747

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine?
The IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine (CID 115118284) is N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine is Cc1ccc(CCNC2CCCNC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine?
The InChIKey is XWKWUMWBQAJHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-4-5-12(15-10)6-8-14-11-3-2-7-13-9-11/h4-5,11,13-14H,2-3,6-9H2,1H3.
What are the key properties of N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine?
N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)ethyl]piperidin-3-amine is sourced from PubChem (CID 115118284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).