2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine

C19H39NO — CID 139968933

IUPAC2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine
SMILESCCCCCCCCC(CNCC)(COC)C1CCCC1
InChIInChI=1S/C19H39NO/c1-4-6-7-8-9-12-15-19(17-21-3,16-20-5-2)18-13-10-11-14-18/h18,20H,4-17H2,1-3H3
InChIKeyGZTPUQIMXUUNLW-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.17
Rot. Bonds13

About 2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine

2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine (PubChem CID 139968933) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine
PubChem CID139968933
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine
SMILESCCCCCCCCC(CNCC)(COC)C1CCCC1
InChIInChI=1S/C19H39NO/c1-4-6-7-8-9-12-15-19(17-21-3,16-20-5-2)18-13-10-11-14-18/h18,20H,4-17H2,1-3H3
InChIKeyGZTPUQIMXUUNLW-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine?
The IUPAC name of 2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine (CID 139968933) is 2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine?
The canonical SMILES for 2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine is CCCCCCCCC(CNCC)(COC)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine?
The InChIKey is GZTPUQIMXUUNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-4-6-7-8-9-12-15-19(17-21-3,16-20-5-2)18-13-10-11-14-18/h18,20H,4-17H2,1-3H3.
What are the key properties of 2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine?
2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 5.17, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-ethyl-2-(methoxymethyl)decan-1-amine is sourced from PubChem (CID 139968933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).