4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine

C12H25NO — CID 66323670

IUPAC4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCOCC1CCCC1
InChIInChI=1S/C12H25NO/c1-12(2,10-13)7-8-14-9-11-5-3-4-6-11/h11H,3-10,13H2,1-2H3
InChIKeyTUDJJPNCSIPDGL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds6

About 4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine

4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine (PubChem CID 66323670) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine
PubChem CID66323670
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCOCC1CCCC1
InChIInChI=1S/C12H25NO/c1-12(2,10-13)7-8-14-9-11-5-3-4-6-11/h11H,3-10,13H2,1-2H3
InChIKeyTUDJJPNCSIPDGL-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(cyclopentylmethoxy)-2,2-dimethylbutan-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

3-(cyclopentylmethoxy)propan-1-amine
CID 62344405
2,2-dimethyl-6-(oxolan-3-ylmethoxy)hexan-1-amine
CID 106708670
2-(cyclopentylmethoxy)-3,3-dimethylbutan-1-amine
CID 66323011
4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide
CID 66324174
3-cyclopentyl-2,2-dimethylpropan-1-amine;hydrochloride
CID 122240185
2,2-dimethyl-4-propoxybutan-1-amine
CID 65248577
4-(cyclopentylmethoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 66324226
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2,2-dimethylbutan-1-amine
CID 104560395
5-(cyclohexylmethoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063177
4-(2-ethoxyethoxy)-2,2-dimethylbutan-1-amine
CID 65249201
2-methoxyethoxymethylcyclooctane
CID 3020404
2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine
CID 79627779

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine (CID 66323670) is 4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine is CC(C)(CN)CCOCC1CCCC1.
What is the InChIKey of 4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine?
The InChIKey is TUDJJPNCSIPDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,10-13)7-8-14-9-11-5-3-4-6-11/h11H,3-10,13H2,1-2H3.
What are the key properties of 4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine?
4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 66323670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).