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

C13H29NO — CID 102904336

IUPACN-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCOC(C)C(C)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H29NO/c1-9(2)13(10(3)4)8-14-11(5)12(6)15-7/h9-14H,8H2,1-7H3
InChIKeySTKZAFSDPXJJDW-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.93
Rot. Bonds7

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

N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102904336) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102904336
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCOC(C)C(C)NCC(C(C)C)C(C)C
InChIInChI=1S/C13H29NO/c1-9(2)13(10(3)4)8-14-11(5)12(6)15-7/h9-14H,8H2,1-7H3
InChIKeySTKZAFSDPXJJDW-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine
CID 166556352
N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102903901
3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896258
N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine
CID 115713933
1-(3-methoxybutan-2-ylamino)pentan-2-ol
CID 115719384
N-butan-2-yl-3-methoxybutan-2-amine
CID 115705720
3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 115709020
3-methyl-N-pentan-3-yl-2-propan-2-ylbutan-1-amine
CID 102904025
1-(3-methoxybutan-2-ylamino)-4-methylpentan-3-ol
CID 115723500
1-(3-methoxybutan-2-ylamino)-2-methylpropan-2-ol
CID 115718655
N-(4-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904402
N-(3-methoxybutan-2-yl)pentan-1-amine
CID 115705771

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine (CID 102904336) is N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine is COC(C)C(C)NCC(C(C)C)C(C)C.
What is the InChIKey of N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is STKZAFSDPXJJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-9(2)13(10(3)4)8-14-11(5)12(6)15-7/h9-14H,8H2,1-7H3.
What are the key properties of N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine?
N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).