2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine

C14H29NO — CID 62718489

IUPAC2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine
SMILESCCCC(CNCCOC)CC1CCCC1
InChIInChI=1S/C14H29NO/c1-3-6-14(12-15-9-10-16-2)11-13-7-4-5-8-13/h13-15H,3-12H2,1-2H3
InChIKeyALRDORBYPUNPAG-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds9

About 2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine

2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 62718489) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine
PubChem CID62718489
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine
SMILESCCCC(CNCCOC)CC1CCCC1
InChIInChI=1S/C14H29NO/c1-3-6-14(12-15-9-10-16-2)11-13-7-4-5-8-13/h13-15H,3-12H2,1-2H3
InChIKeyALRDORBYPUNPAG-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine (CID 62718489) is 2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine is CCCC(CNCCOC)CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is ALRDORBYPUNPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-6-14(12-15-9-10-16-2)11-13-7-4-5-8-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine?
2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 62718489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).