1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine

C13H27NO — CID 116724473

IUPAC1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine
SMILESCNC(CC1CCC1)C(OC)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-13(2,3)12(15-5)11(14-4)9-10-7-6-8-10/h10-12,14H,6-9H2,1-5H3
InChIKeyINEJYKYMUIWSIC-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds5

About 1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine

1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine (PubChem CID 116724473) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine
PubChem CID116724473
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine
SMILESCNC(CC1CCC1)C(OC)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-13(2,3)12(15-5)11(14-4)9-10-7-6-8-10/h10-12,14H,6-9H2,1-5H3
InChIKeyINEJYKYMUIWSIC-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-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

(1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-yl)hydrazine
CID 105273349
1-cyclopentyl-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712985
(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine
CID 167019095
1,3-dimethoxy-N,4,4-trimethylpentan-2-amine
CID 116724510
1-cyclopentyl-3-methoxy-N-methylhexan-2-amine
CID 116718854
1-cyclopropyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724204
3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine
CID 116724435
3-methoxy-N,2,2-trimethyloct-7-en-4-amine
CID 116724554
1-cyclopropyl-N,3-dimethylbutan-2-amine
CID 64903822
3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine
CID 80604795
(3-methoxy-4,4-dimethyl-1-propan-2-yloxypentan-2-yl)hydrazine
CID 105273581
(1-cyclohexyl-2-methoxy-3,3-dimethylbutyl)hydrazine
CID 105273420

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine (CID 116724473) is 1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine is CNC(CC1CCC1)C(OC)C(C)(C)C.
What is the InChIKey of 1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine?
The InChIKey is INEJYKYMUIWSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,3)12(15-5)11(14-4)9-10-7-6-8-10/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine?
1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-methoxy-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 116724473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).