N-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine

C13H29NO — CID 121474448

IUPACN-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCCCCN(CCC(C)(C)OC)C(C)C
InChIInChI=1S/C13H29NO/c1-7-8-10-14(12(2)3)11-9-13(4,5)15-6/h12H,7-11H2,1-6H3
InChIKeyAKSMFFFCAUDRTP-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.31
Rot. Bonds8

About N-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine

N-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 121474448) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is N-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID121474448
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC NameN-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCCCCN(CCC(C)(C)OC)C(C)C
InChIInChI=1S/C13H29NO/c1-7-8-10-14(12(2)3)11-9-13(4,5)15-6/h12H,7-11H2,1-6H3
InChIKeyAKSMFFFCAUDRTP-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-3-methyl-N-propan-2-yl-N-(4,4,4-trifluorobutyl)butan-1-amine
CID 121474462
3-methoxy-N,N,2,3-tetramethylbutan-1-amine
CID 54299795
4-Ethyl-4-methoxy-1-propan-2-ylpiperidine
CID 59389154
4-Methoxy-4-methyl-1-propan-2-ylpiperidine
CID 67477357
2-Methyl-4-[methyl(propan-2-yl)amino]butan-2-ol
CID 79360801
1-(3-Methoxy-3-methylbutyl)-1-methyl-2-propylaziridin-1-ium
CID 91164624
N-(3-methoxy-3-methylbutyl)-N-methylcyclohexanamine
CID 117937198
N-(3-methoxy-3-methylbutyl)-N-propan-2-ylcyclohexanamine
CID 121474447
N-methyl-N-[(2-methylpropan-2-yl)oxymethyl]butan-2-amine
CID 123760807
(3S)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine
CID 126655199
(3R)-3-methoxy-3-methyl-1-propan-2-ylpyrrolidine
CID 126655201
3-methoxy-N,N,3-trimethylbutan-1-amine
CID 130172203

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of N-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine (CID 121474448) is N-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine is CCCCN(CCC(C)(C)OC)C(C)C.
What is the InChIKey of N-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is AKSMFFFCAUDRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-8-10-14(12(2)3)11-9-13(4,5)15-6/h12H,7-11H2,1-6H3.
What are the key properties of N-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine?
N-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methoxy-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 121474448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).