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

C12H20N2O — CID 62419086

IUPACN-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
SMILESCN(Cc1occc1CN)C1CCCC1
InChIInChI=1S/C12H20N2O/c1-14(11-4-2-3-5-11)9-12-10(8-13)6-7-15-12/h6-7,11H,2-5,8-9,13H2,1H3
InChIKeyKBOXOVLAXVGNHL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.11
Rot. Bonds4

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

N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine (PubChem CID 62419086) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
PubChem CID62419086
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
SMILESCN(Cc1occc1CN)C1CCCC1
InChIInChI=1S/C12H20N2O/c1-14(11-4-2-3-5-11)9-12-10(8-13)6-7-15-12/h6-7,11H,2-5,8-9,13H2,1H3
InChIKeyKBOXOVLAXVGNHL-UHFFFAOYSA-N
XLogP2.11
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine?
The IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine (CID 62419086) is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine is CN(Cc1occc1CN)C1CCCC1.
What is the InChIKey of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine?
The InChIKey is KBOXOVLAXVGNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(11-4-2-3-5-11)9-12-10(8-13)6-7-15-12/h6-7,11H,2-5,8-9,13H2,1H3.
What are the key properties of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine?
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine has a molecular weight of 208.30 g/mol, XLogP of 2.11, 4 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-methylcyclopentanamine is sourced from PubChem (CID 62419086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).