2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine

C13H27NO — CID 58297253

IUPAC2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine
SMILESCC(C)(C)C(C)(C)NCC1CCOCC1
InChIInChI=1S/C13H27NO/c1-12(2,3)13(4,5)14-10-11-6-8-15-9-7-11/h11,14H,6-10H2,1-5H3
InChIKeyLNGNZJOJMAFQII-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds3

About 2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine

2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine (PubChem CID 58297253) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine
PubChem CID58297253
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine
SMILESCC(C)(C)C(C)(C)NCC1CCOCC1
InChIInChI=1S/C13H27NO/c1-12(2,3)13(4,5)14-10-11-6-8-15-9-7-11/h11,14H,6-10H2,1-5H3
InChIKeyLNGNZJOJMAFQII-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine?
The IUPAC name of 2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine (CID 58297253) is 2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine?
The canonical SMILES for 2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine is CC(C)(C)C(C)(C)NCC1CCOCC1.
What is the InChIKey of 2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine?
The InChIKey is LNGNZJOJMAFQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2,3)13(4,5)14-10-11-6-8-15-9-7-11/h11,14H,6-10H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine?
2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-(oxan-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 58297253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).