3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine

C13H22N2O — CID 66009251

IUPAC3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine
SMILESCc1ccc(CN(C)CC2CCC(N)C2)o1
InChIInChI=1S/C13H22N2O/c1-10-3-6-13(16-10)9-15(2)8-11-4-5-12(14)7-11/h3,6,11-12H,4-5,7-9,14H2,1-2H3
InChIKeyBVXCYFDBNKJDCJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.15
Rot. Bonds4

About 3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine

3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine (PubChem CID 66009251) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine
PubChem CID66009251
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine
SMILESCc1ccc(CN(C)CC2CCC(N)C2)o1
InChIInChI=1S/C13H22N2O/c1-10-3-6-13(16-10)9-15(2)8-11-4-5-12(14)7-11/h3,6,11-12H,4-5,7-9,14H2,1-2H3
InChIKeyBVXCYFDBNKJDCJ-UHFFFAOYSA-N
XLogP2.15
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine?
The IUPAC name of 3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine (CID 66009251) is 3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine is Cc1ccc(CN(C)CC2CCC(N)C2)o1.
What is the InChIKey of 3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine?
The InChIKey is BVXCYFDBNKJDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-3-6-13(16-10)9-15(2)8-11-4-5-12(14)7-11/h3,6,11-12H,4-5,7-9,14H2,1-2H3.
What are the key properties of 3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine?
3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 66009251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).