N-(2-pentan-2-yloxyethyl)cyclopentanamine

C12H25NO — CID 102987392

IUPACN-(2-pentan-2-yloxyethyl)cyclopentanamine
SMILESCCCC(C)OCCNC1CCCC1
InChIInChI=1S/C12H25NO/c1-3-6-11(2)14-10-9-13-12-7-4-5-8-12/h11-13H,3-10H2,1-2H3
InChIKeyHJAIVDGSKDSLIK-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds7

About N-(2-pentan-2-yloxyethyl)cyclopentanamine

N-(2-pentan-2-yloxyethyl)cyclopentanamine (PubChem CID 102987392) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(2-pentan-2-yloxyethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-pentan-2-yloxyethyl)cyclopentanamine
PubChem CID102987392
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-(2-pentan-2-yloxyethyl)cyclopentanamine
SMILESCCCC(C)OCCNC1CCCC1
InChIInChI=1S/C12H25NO/c1-3-6-11(2)14-10-9-13-12-7-4-5-8-12/h11-13H,3-10H2,1-2H3
InChIKeyHJAIVDGSKDSLIK-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
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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Related Compounds

N-(4-hexoxypentyl)cyclopropanamine
CID 62455519
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822
4-methyl-N-[2-(4-methylpentan-2-yloxy)ethyl]cyclohexan-1-amine
CID 62572197
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 60690321
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
N-[2-(4-methylpentoxy)propyl]cyclopentanamine
CID 62598653
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-(2-propoxypropyl)cyclopropanamine
CID 62451872
N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
CID 62440729
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003

Frequently Asked Questions

What is the IUPAC name of N-(2-pentan-2-yloxyethyl)cyclopentanamine?
The IUPAC name of N-(2-pentan-2-yloxyethyl)cyclopentanamine (CID 102987392) is N-(2-pentan-2-yloxyethyl)cyclopentanamine.
What is the SMILES notation for N-(2-pentan-2-yloxyethyl)cyclopentanamine?
The canonical SMILES for N-(2-pentan-2-yloxyethyl)cyclopentanamine is CCCC(C)OCCNC1CCCC1.
What is the InChIKey of N-(2-pentan-2-yloxyethyl)cyclopentanamine?
The InChIKey is HJAIVDGSKDSLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-6-11(2)14-10-9-13-12-7-4-5-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(2-pentan-2-yloxyethyl)cyclopentanamine?
N-(2-pentan-2-yloxyethyl)cyclopentanamine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pentan-2-yloxyethyl)cyclopentanamine is sourced from PubChem (CID 102987392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).