N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine

C13H29NO — CID 126621627

IUPACN,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine
SMILESCCC(C)(CC)OC(C)(CC)CN(C)C
InChIInChI=1S/C13H29NO/c1-8-12(4,9-2)15-13(5,10-3)11-14(6)7/h8-11H2,1-7H3
InChIKeyFQRISCKKVYCEFS-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.31
Rot. Bonds7

About N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine

N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine (PubChem CID 126621627) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine
PubChem CID126621627
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine
SMILESCCC(C)(CC)OC(C)(CC)CN(C)C
InChIInChI=1S/C13H29NO/c1-8-12(4,9-2)15-13(5,10-3)11-14(6)7/h8-11H2,1-7H3
InChIKeyFQRISCKKVYCEFS-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine?
The IUPAC name of N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine (CID 126621627) is N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine.
What is the SMILES notation for N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine?
The canonical SMILES for N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine is CCC(C)(CC)OC(C)(CC)CN(C)C.
What is the InChIKey of N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine?
The InChIKey is FQRISCKKVYCEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-8-12(4,9-2)15-13(5,10-3)11-14(6)7/h8-11H2,1-7H3.
What are the key properties of N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine?
N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine is sourced from PubChem (CID 126621627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).