2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine

C12H21NO — CID 130478587

IUPAC2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine
SMILESCC(C)(C)C#CCOC1CCCC1N
InChIInChI=1S/C12H21NO/c1-12(2,3)8-5-9-14-11-7-4-6-10(11)13/h10-11H,4,6-7,9,13H2,1-3H3
InChIKeyZHUZQJRUWJFOAM-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.93
Rot. Bonds2

About 2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine

2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine (PubChem CID 130478587) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine
PubChem CID130478587
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine
SMILESCC(C)(C)C#CCOC1CCCC1N
InChIInChI=1S/C12H21NO/c1-12(2,3)8-5-9-14-11-7-4-6-10(11)13/h10-11H,4,6-7,9,13H2,1-3H3
InChIKeyZHUZQJRUWJFOAM-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxycyclopentan-1-amine
CID 16792821
2-(2-methoxyethoxy)cyclopentan-1-amine
CID 43184183
1-(2-aminocyclopentyl)oxy-2,3-dimethylbutan-2-ol
CID 106940782
2-(3,3-dimethylbutoxy)cyclooctan-1-amine
CID 66232018
trans-(1S,2S)-2-(cyclopropylmethoxy)cyclopentan-1-amine
CID 28798081
2-(2-methylbutan-2-yloxy)cyclopentan-1-amine
CID 43127801
2-(3,3,3-trifluoropropoxy)cyclopentan-1-amine
CID 82955616
1-[(1R,2S)-2-aminocyclopentyl]oxypropan-2-one
CID 59454034
1-(2-aminocyclopentyl)oxypropan-2-ol
CID 106938950
cis-(1R,2S)-2-propan-2-yloxycyclopentan-1-amine
CID 94519427
2-butoxycyclohexan-1-amine
CID 43267617
2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine;hydrochloride
CID 172642150

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine?
The IUPAC name of 2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine (CID 130478587) is 2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine?
The canonical SMILES for 2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine is CC(C)(C)C#CCOC1CCCC1N.
What is the InChIKey of 2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine?
The InChIKey is ZHUZQJRUWJFOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)8-5-9-14-11-7-4-6-10(11)13/h10-11H,4,6-7,9,13H2,1-3H3.
What are the key properties of 2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine?
2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpent-2-ynoxy)cyclopentan-1-amine is sourced from PubChem (CID 130478587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).