N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine

C13H25NO — CID 106930738

IUPACN-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(COCC2CC2)CCCC1
InChIInChI=1S/C13H25NO/c1-2-14-10-13(7-3-4-8-13)11-15-9-12-5-6-12/h12,14H,2-11H2,1H3
InChIKeyLEHREMKIPDRJQL-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds7

About N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine

N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine (PubChem CID 106930738) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine
PubChem CID106930738
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(COCC2CC2)CCCC1
InChIInChI=1S/C13H25NO/c1-2-14-10-13(7-3-4-8-13)11-15-9-12-5-6-12/h12,14H,2-11H2,1H3
InChIKeyLEHREMKIPDRJQL-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine (CID 106930738) is N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine is CCNCC1(COCC2CC2)CCCC1.
What is the InChIKey of N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine?
The InChIKey is LEHREMKIPDRJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-14-10-13(7-3-4-8-13)11-15-9-12-5-6-12/h12,14H,2-11H2,1H3.
What are the key properties of N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine?
N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 106930738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).