2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine

C17H34N2O — CID 86779410

IUPAC2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine
SMILESCC(C)CCC1CCCC1NCCCN1CCOCC1
InChIInChI=1S/C17H34N2O/c1-15(2)7-8-16-5-3-6-17(16)18-9-4-10-19-11-13-20-14-12-19/h15-18H,3-14H2,1-2H3
InChIKeyVKBMUELRTGUGJH-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds8

About 2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine

2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine (PubChem CID 86779410) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine
PubChem CID86779410
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine
SMILESCC(C)CCC1CCCC1NCCCN1CCOCC1
InChIInChI=1S/C17H34N2O/c1-15(2)7-8-16-5-3-6-17(16)18-9-4-10-19-11-13-20-14-12-19/h15-18H,3-14H2,1-2H3
InChIKeyVKBMUELRTGUGJH-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine?
The IUPAC name of 2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine (CID 86779410) is 2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine?
The canonical SMILES for 2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine is CC(C)CCC1CCCC1NCCCN1CCOCC1.
What is the InChIKey of 2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine?
The InChIKey is VKBMUELRTGUGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(2)7-8-16-5-3-6-17(16)18-9-4-10-19-11-13-20-14-12-19/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine?
2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-N-(3-morpholin-4-ylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 86779410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).