N-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine

C11H25NO — CID 155689437

IUPACN-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine
SMILESCC(C)OC(C)CCN(C)C(C)C
InChIInChI=1S/C11H25NO/c1-9(2)12(6)8-7-11(5)13-10(3)4/h9-11H,7-8H2,1-6H3
InChIKeyGDQNLGOZQXCYOF-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.53
Rot. Bonds6

About N-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine

N-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine (PubChem CID 155689437) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine
PubChem CID155689437
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine
SMILESCC(C)OC(C)CCN(C)C(C)C
InChIInChI=1S/C11H25NO/c1-9(2)12(6)8-7-11(5)13-10(3)4/h9-11H,7-8H2,1-6H3
InChIKeyGDQNLGOZQXCYOF-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine?
The IUPAC name of N-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine (CID 155689437) is N-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine.
What is the SMILES notation for N-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine?
The canonical SMILES for N-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine is CC(C)OC(C)CCN(C)C(C)C.
What is the InChIKey of N-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine?
The InChIKey is GDQNLGOZQXCYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)12(6)8-7-11(5)13-10(3)4/h9-11H,7-8H2,1-6H3.
What are the key properties of N-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine?
N-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-3-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 155689437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).