N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine

C13H26N2O — CID 62259601

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(CC1(CN)CCCC1)C1CC1
InChIInChI=1S/C13H26N2O/c1-16-9-8-15(12-4-5-12)11-13(10-14)6-2-3-7-13/h12H,2-11,14H2,1H3
InChIKeyDULHDBNPMHKQJB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.62
Rot. Bonds7

About N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine

N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine (PubChem CID 62259601) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
PubChem CID62259601
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
SMILESCOCCN(CC1(CN)CCCC1)C1CC1
InChIInChI=1S/C13H26N2O/c1-16-9-8-15(12-4-5-12)11-13(10-14)6-2-3-7-13/h12H,2-11,14H2,1H3
InChIKeyDULHDBNPMHKQJB-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine (CID 62259601) is N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine is COCCN(CC1(CN)CCCC1)C1CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
The InChIKey is DULHDBNPMHKQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-9-8-15(12-4-5-12)11-13(10-14)6-2-3-7-13/h12H,2-11,14H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine?
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine has a molecular weight of 226.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-N-(2-methoxyethyl)cyclopropanamine is sourced from PubChem (CID 62259601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).