N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine

C11H23NO — CID 59746360

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine
SMILESCC(C)(C)OCCNC1CCCC1
InChIInChI=1S/C11H23NO/c1-11(2,3)13-9-8-12-10-6-4-5-7-10/h10,12H,4-9H2,1-3H3
InChIKeyVNBOEQBJQIVXSX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.33
Rot. Bonds4

About N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine (PubChem CID 59746360) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine
PubChem CID59746360
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine
SMILESCC(C)(C)OCCNC1CCCC1
InChIInChI=1S/C11H23NO/c1-11(2,3)13-9-8-12-10-6-4-5-7-10/h10,12H,4-9H2,1-3H3
InChIKeyVNBOEQBJQIVXSX-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.33
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 N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine (CID 59746360) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine is CC(C)(C)OCCNC1CCCC1.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine?
The InChIKey is VNBOEQBJQIVXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)13-9-8-12-10-6-4-5-7-10/h10,12H,4-9H2,1-3H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine has a molecular weight of 185.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentanamine is sourced from PubChem (CID 59746360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).