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

2-[1-(aminomethyl)cyclohexyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 104678131
[1-[[2-(5-methylfuran-2-yl)ethylamino]methyl]cyclobutyl]methanol
CID 115247111
methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247585
1-(5-methylfuran-2-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine;oxalic acid
CID 17486432
1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129353
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 106012052
[1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358933
N-[(1-ethylcyclopentyl)methyl]-1-(5-nitrofuran-2-yl)methanamine
CID 103766186
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118
N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 115445033
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 115435554

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).