6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine

C14H29NO — CID 90708551

IUPAC6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine
SMILESCCC1CC(C)(C)C(C)(N(C)C(C)C)CO1
InChIInChI=1S/C14H29NO/c1-8-12-9-13(4,5)14(6,10-16-12)15(7)11(2)3/h11-12H,8-10H2,1-7H3
InChIKeyWNLAIXOWBRSFTR-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.31
Rot. Bonds3

About 6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine

6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine (PubChem CID 90708551) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine.

Molecular Properties

Compound Name6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine
PubChem CID90708551
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine
SMILESCCC1CC(C)(C)C(C)(N(C)C(C)C)CO1
InChIInChI=1S/C14H29NO/c1-8-12-9-13(4,5)14(6,10-16-12)15(7)11(2)3/h11-12H,8-10H2,1-7H3
InChIKeyWNLAIXOWBRSFTR-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine?
The IUPAC name of 6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine (CID 90708551) is 6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine.
What is the SMILES notation for 6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine?
The canonical SMILES for 6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine is CCC1CC(C)(C)C(C)(N(C)C(C)C)CO1.
What is the InChIKey of 6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine?
The InChIKey is WNLAIXOWBRSFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-8-12-9-13(4,5)14(6,10-16-12)15(7)11(2)3/h11-12H,8-10H2,1-7H3.
What are the key properties of 6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine?
6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N,3,4,4-tetramethyl-N-propan-2-yloxan-3-amine is sourced from PubChem (CID 90708551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).