6-(3,3-dimethylbutoxy)hexan-1-amine

C12H27NO — CID 66225933

IUPAC6-(3,3-dimethylbutoxy)hexan-1-amine
SMILESCC(C)(C)CCOCCCCCCN
InChIInChI=1S/C12H27NO/c1-12(2,3)8-11-14-10-7-5-4-6-9-13/h4-11,13H2,1-3H3
InChIKeyDHBCMMNANHBVIN-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds8

About 6-(3,3-dimethylbutoxy)hexan-1-amine

6-(3,3-dimethylbutoxy)hexan-1-amine (PubChem CID 66225933) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 6-(3,3-dimethylbutoxy)hexan-1-amine.

Molecular Properties

Compound Name6-(3,3-dimethylbutoxy)hexan-1-amine
PubChem CID66225933
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name6-(3,3-dimethylbutoxy)hexan-1-amine
SMILESCC(C)(C)CCOCCCCCCN
InChIInChI=1S/C12H27NO/c1-12(2,3)8-11-14-10-7-5-4-6-9-13/h4-11,13H2,1-3H3
InChIKeyDHBCMMNANHBVIN-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(3,3-dimethylbutoxy)hexan-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

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethylbutoxy)hexan-1-amine?
The IUPAC name of 6-(3,3-dimethylbutoxy)hexan-1-amine (CID 66225933) is 6-(3,3-dimethylbutoxy)hexan-1-amine.
What is the SMILES notation for 6-(3,3-dimethylbutoxy)hexan-1-amine?
The canonical SMILES for 6-(3,3-dimethylbutoxy)hexan-1-amine is CC(C)(C)CCOCCCCCCN.
What is the InChIKey of 6-(3,3-dimethylbutoxy)hexan-1-amine?
The InChIKey is DHBCMMNANHBVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-12(2,3)8-11-14-10-7-5-4-6-9-13/h4-11,13H2,1-3H3.
What are the key properties of 6-(3,3-dimethylbutoxy)hexan-1-amine?
6-(3,3-dimethylbutoxy)hexan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethylbutoxy)hexan-1-amine is sourced from PubChem (CID 66225933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).