N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine

C13H23N3O — CID 62424649

IUPACN-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2occc2CN)CC1
InChIInChI=1S/C13H23N3O/c1-15-6-3-12(4-7-15)16(2)10-13-11(9-14)5-8-17-13/h5,8,12H,3-4,6-7,9-10,14H2,1-2H3
InChIKeyPPDNIGMEHKQELT-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.26
Rot. Bonds4

About N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine

N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 62424649) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID62424649
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2occc2CN)CC1
InChIInChI=1S/C13H23N3O/c1-15-6-3-12(4-7-15)16(2)10-13-11(9-14)5-8-17-13/h5,8,12H,3-4,6-7,9-10,14H2,1-2H3
InChIKeyPPDNIGMEHKQELT-UHFFFAOYSA-N
XLogP1.26
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine (CID 62424649) is N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)Cc2occc2CN)CC1.
What is the InChIKey of N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is PPDNIGMEHKQELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-15-6-3-12(4-7-15)16(2)10-13-11(9-14)5-8-17-13/h5,8,12H,3-4,6-7,9-10,14H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine?
N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 62424649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).