N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine

C13H22N2O — CID 115435543

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCC2(CN)CCCC2)o1
InChIInChI=1S/C13H22N2O/c1-11-4-5-12(16-11)8-15-10-13(9-14)6-2-3-7-13/h4-5,15H,2-3,6-10,14H2,1H3
InChIKeyNYHLHWJKYJAXGC-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.20
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine

N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine (PubChem CID 115435543) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine
PubChem CID115435543
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCC2(CN)CCCC2)o1
InChIInChI=1S/C13H22N2O/c1-11-4-5-12(16-11)8-15-10-13(9-14)6-2-3-7-13/h4-5,15H,2-3,6-10,14H2,1H3
InChIKeyNYHLHWJKYJAXGC-UHFFFAOYSA-N
XLogP2.20
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methylfurtrethonium
CID 4141
2-Furanmethanaminium, N,N,N,5-tetramethyl-, iodide (1:1)
CID 70973
Furfurylamphetamine
CID 18116
N-Methylfurfurylamine
CID 78492
1-[(5-Methyl-2-furanyl)methyl]pyrrolidine
CID 529066
N-Butyl-5-methyl-N-[(5-methyl-2-furanyl)methyl]-2-furanmethanamine
CID 4597757
N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5217129
Benzyl(furan-2-ylmethyl)amine
CID 39338
N-[(5-methyl-2-furyl)methyl]ethanamine
CID 4777647
Bis((furan-2-yl)methyl)amine
CID 557214
N,N-diethyl-N',N'-bis[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
CID 3955702
3-[(2-Furylmethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 649993

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine (CID 115435543) is N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine is Cc1ccc(CNCC2(CN)CCCC2)o1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is NYHLHWJKYJAXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-4-5-12(16-11)8-15-10-13(9-14)6-2-3-7-13/h4-5,15H,2-3,6-10,14H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine?
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 222.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 115435543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).