N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine

C13H22N2O — CID 107401977

IUPACN-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine
SMILESCCN(Cc1occc1CN)CC1CCC1
InChIInChI=1S/C13H22N2O/c1-2-15(9-11-4-3-5-11)10-13-12(8-14)6-7-16-13/h6-7,11H,2-5,8-10,14H2,1H3
InChIKeyXWKUQKAARRIQBH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.36
Rot. Bonds6

About N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine

N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine (PubChem CID 107401977) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine
PubChem CID107401977
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine
SMILESCCN(Cc1occc1CN)CC1CCC1
InChIInChI=1S/C13H22N2O/c1-2-15(9-11-4-3-5-11)10-13-12(8-14)6-7-16-13/h6-7,11H,2-5,8-10,14H2,1H3
InChIKeyXWKUQKAARRIQBH-UHFFFAOYSA-N
XLogP2.36
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 845080
N,N,N-Trimethyl-2-furanmethanaminium
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CID 78492
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CID 3312689
3-((Furan-2-ylmethyl)amino)propanenitrile
CID 2063331
(Furan-2-ylmethyl)(hexyl)amine
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((Furan-2-yl)methyl)(propan-2-yl)amine
CID 12572948

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine?
The IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine (CID 107401977) is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine?
The canonical SMILES for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine is CCN(Cc1occc1CN)CC1CCC1.
What is the InChIKey of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine?
The InChIKey is XWKUQKAARRIQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-15(9-11-4-3-5-11)10-13-12(8-14)6-7-16-13/h6-7,11H,2-5,8-10,14H2,1H3.
What are the key properties of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine?
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine is sourced from PubChem (CID 107401977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).