3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine

C13H27NO — CID 3741343

IUPAC3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine
SMILESCC(C)C(CCN)C1CCOC(C)(C)C1
InChIInChI=1S/C13H27NO/c1-10(2)12(5-7-14)11-6-8-15-13(3,4)9-11/h10-12H,5-9,14H2,1-4H3
InChIKeyWPYLQMXZEZDIRU-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.81
Rot. Bonds4

About 3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine

3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine (PubChem CID 3741343) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine
PubChem CID3741343
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine
SMILESCC(C)C(CCN)C1CCOC(C)(C)C1
InChIInChI=1S/C13H27NO/c1-10(2)12(5-7-14)11-6-8-15-13(3,4)9-11/h10-12H,5-9,14H2,1-4H3
InChIKeyWPYLQMXZEZDIRU-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine?
The IUPAC name of 3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine (CID 3741343) is 3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine?
The canonical SMILES for 3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine is CC(C)C(CCN)C1CCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine?
The InChIKey is WPYLQMXZEZDIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)12(5-7-14)11-6-8-15-13(3,4)9-11/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine?
3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethyloxan-4-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 3741343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).