N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine

C11H25NO — CID 62528154

IUPACN,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
SMILESCNCC(CCOC(C)C)C(C)C
InChIInChI=1S/C11H25NO/c1-9(2)11(8-12-5)6-7-13-10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyMZQBUZMNUWWBHB-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.29
Rot. Bonds7

About N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine

N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine (PubChem CID 62528154) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
PubChem CID62528154
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine
SMILESCNCC(CCOC(C)C)C(C)C
InChIInChI=1S/C11H25NO/c1-9(2)11(8-12-5)6-7-13-10(3)4/h9-12H,6-8H2,1-5H3
InChIKeyMZQBUZMNUWWBHB-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine (CID 62528154) is N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine is CNCC(CCOC(C)C)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine?
The InChIKey is MZQBUZMNUWWBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)11(8-12-5)6-7-13-10(3)4/h9-12H,6-8H2,1-5H3.
What are the key properties of N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine?
N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(2-propan-2-yloxyethyl)butan-1-amine is sourced from PubChem (CID 62528154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).