2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine

C17H35NO — CID 63507414

IUPAC2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
SMILESCCCCC(CC)(CNCCOC)CC1CCCC1
InChIInChI=1S/C17H35NO/c1-4-6-11-17(5-2,15-18-12-13-19-3)14-16-9-7-8-10-16/h16,18H,4-15H2,1-3H3
InChIKeyGQKKLETXIPLNPK-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds11

About 2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine

2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine (PubChem CID 63507414) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
PubChem CID63507414
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
SMILESCCCCC(CC)(CNCCOC)CC1CCCC1
InChIInChI=1S/C17H35NO/c1-4-6-11-17(5-2,15-18-12-13-19-3)14-16-9-7-8-10-16/h16,18H,4-15H2,1-3H3
InChIKeyGQKKLETXIPLNPK-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
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)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The IUPAC name of 2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine (CID 63507414) is 2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The canonical SMILES for 2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine is CCCCC(CC)(CNCCOC)CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine?
The InChIKey is GQKKLETXIPLNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-6-11-17(5-2,15-18-12-13-19-3)14-16-9-7-8-10-16/h16,18H,4-15H2,1-3H3.
What are the key properties of 2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine?
2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine is sourced from PubChem (CID 63507414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).