N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine

C13H29NO — CID 102904402

IUPACN-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCOCCC(C)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H29NO/c1-10(2)13(11(3)4)9-14-12(5)7-8-15-6/h10-14H,7-9H2,1-6H3
InChIKeyXGXYGFWDYQWWRP-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.93
Rot. Bonds8

About N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine

N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102904402) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102904402
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCOCCC(C)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H29NO/c1-10(2)13(11(3)4)9-14-12(5)7-8-15-6/h10-14H,7-9H2,1-6H3
InChIKeyXGXYGFWDYQWWRP-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine (CID 102904402) is N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine is COCCC(C)NCC(C(C)C)C(C)C.
What is the InChIKey of N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is XGXYGFWDYQWWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-10(2)13(11(3)4)9-14-12(5)7-8-15-6/h10-14H,7-9H2,1-6H3.
What are the key properties of N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).