1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine

C13H22N2O — CID 115621753

IUPAC1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine
SMILESCCN1CCCCC1CNCc1ccco1
InChIInChI=1S/C13H22N2O/c1-2-15-8-4-3-6-12(15)10-14-11-13-7-5-9-16-13/h5,7,9,12,14H,2-4,6,8,10-11H2,1H3
InChIKeyLGMVEOZLGGJYFM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.24
Rot. Bonds5

About 1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine

1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine (PubChem CID 115621753) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine
PubChem CID115621753
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine
SMILESCCN1CCCCC1CNCc1ccco1
InChIInChI=1S/C13H22N2O/c1-2-15-8-4-3-6-12(15)10-14-11-13-7-5-9-16-13/h5,7,9,12,14H,2-4,6,8,10-11H2,1H3
InChIKeyLGMVEOZLGGJYFM-UHFFFAOYSA-N
XLogP2.24
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035936
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 3157138
2-[(2R)-2-ethylpiperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 94775933
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
1-(1-ethylpyrrolidin-2-yl)-N-[(5-nitrofuran-2-yl)methyl]methanamine
CID 43764769
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639556
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine
CID 111491336
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
1-(1-ethylpyrrolidin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 60663876
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17215860
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine (CID 115621753) is 1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine is CCN1CCCCC1CNCc1ccco1.
What is the InChIKey of 1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine?
The InChIKey is LGMVEOZLGGJYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-15-8-4-3-6-12(15)10-14-11-13-7-5-9-16-13/h5,7,9,12,14H,2-4,6,8,10-11H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine?
1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine has a molecular weight of 222.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 115621753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).