N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine

C11H25NO — CID 126701274

IUPACN,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCN(C)C(C)(C)CCOC(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(2,3)13-9-8-11(4,5)12(6)7/h8-9H2,1-7H3
InChIKeyLDVNNVFEHSMZHB-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.53
Rot. Bonds4

About N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine

N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine (PubChem CID 126701274) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine
PubChem CID126701274
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine
SMILESCN(C)C(C)(C)CCOC(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(2,3)13-9-8-11(4,5)12(6)7/h8-9H2,1-7H3
InChIKeyLDVNNVFEHSMZHB-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.53
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-4-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The IUPAC name of N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine (CID 126701274) is N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The canonical SMILES for N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine is CN(C)C(C)(C)CCOC(C)(C)C.
What is the InChIKey of N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine?
The InChIKey is LDVNNVFEHSMZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2,3)13-9-8-11(4,5)12(6)7/h8-9H2,1-7H3.
What are the key properties of N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine?
N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine is sourced from PubChem (CID 126701274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).