N-(3,3-dimethoxybutan-2-yl)cyclohexanamine

C12H25NO2 — CID 11053063

IUPACN-(3,3-dimethoxybutan-2-yl)cyclohexanamine
SMILESCOC(C)(OC)C(C)NC1CCCCC1
InChIInChI=1S/C12H25NO2/c1-10(12(2,14-3)15-4)13-11-8-6-5-7-9-11/h10-11,13H,5-9H2,1-4H3
InChIKeySBHPKTGJJAPXOJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.31
Rot. Bonds5

About N-(3,3-dimethoxybutan-2-yl)cyclohexanamine

N-(3,3-dimethoxybutan-2-yl)cyclohexanamine (PubChem CID 11053063) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(3,3-dimethoxybutan-2-yl)cyclohexanamine.

Molecular Properties

Compound NameN-(3,3-dimethoxybutan-2-yl)cyclohexanamine
PubChem CID11053063
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(3,3-dimethoxybutan-2-yl)cyclohexanamine
SMILESCOC(C)(OC)C(C)NC1CCCCC1
InChIInChI=1S/C12H25NO2/c1-10(12(2,14-3)15-4)13-11-8-6-5-7-9-11/h10-11,13H,5-9H2,1-4H3
InChIKeySBHPKTGJJAPXOJ-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(3,3-dimethoxybutan-2-yl)cyclohexanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethoxybutan-2-yl)cyclohexanamine?
The IUPAC name of N-(3,3-dimethoxybutan-2-yl)cyclohexanamine (CID 11053063) is N-(3,3-dimethoxybutan-2-yl)cyclohexanamine.
What is the SMILES notation for N-(3,3-dimethoxybutan-2-yl)cyclohexanamine?
The canonical SMILES for N-(3,3-dimethoxybutan-2-yl)cyclohexanamine is COC(C)(OC)C(C)NC1CCCCC1.
What is the InChIKey of N-(3,3-dimethoxybutan-2-yl)cyclohexanamine?
The InChIKey is SBHPKTGJJAPXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(12(2,14-3)15-4)13-11-8-6-5-7-9-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-(3,3-dimethoxybutan-2-yl)cyclohexanamine?
N-(3,3-dimethoxybutan-2-yl)cyclohexanamine has a molecular weight of 215.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethoxybutan-2-yl)cyclohexanamine is sourced from PubChem (CID 11053063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).