4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine

C12H27NO — CID 146332703

IUPAC4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine
SMILESCN(C)C(C)(C)CCOCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(2,3)10-14-9-8-12(4,5)13(6)7/h8-10H2,1-7H3
InChIKeyDELGCFOBCMYBON-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.78
Rot. Bonds5

About 4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine

4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine (PubChem CID 146332703) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine
PubChem CID146332703
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine
SMILESCN(C)C(C)(C)CCOCC(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(2,3)10-14-9-8-12(4,5)13(6)7/h8-10H2,1-7H3
InChIKeyDELGCFOBCMYBON-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 162560187
4-methoxy-N,N,2,3,3-pentamethylbutan-2-amine
CID 21041470
1-methoxy-N,N,3-trimethylpentan-3-amine
CID 89228663
N-(3-ethoxypropyl)-N,2-dimethylpropan-2-amine
CID 89967753
3-ethoxy-N,N,2,2-tetramethylpropan-1-amine
CID 90227656
N,N,2-trimethyl-4-propan-2-yloxybutan-2-amine
CID 123714018
N,N,2-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 126701274
4-(4-methoxy-2-methylbutan-2-yl)oxy-N,N,2-trimethylbutan-2-amine
CID 129037526
[3-(Dimethylamino)-3-methylbutyl] hypochlorite
CID 134232920
4-methoxy-N,N,2-trimethylbutan-2-amine
CID 140339788
4-ethoxy-N,N,2-trimethylbutan-2-amine
CID 144960744
Trimethyl-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]azanium
CID 145272154

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine?
The IUPAC name of 4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine (CID 146332703) is 4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine.
What is the SMILES notation for 4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine?
The canonical SMILES for 4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine is CN(C)C(C)(C)CCOCC(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine?
The InChIKey is DELGCFOBCMYBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-11(2,3)10-14-9-8-12(4,5)13(6)7/h8-10H2,1-7H3.
What are the key properties of 4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine?
4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxy)-N,N,2-trimethylbutan-2-amine is sourced from PubChem (CID 146332703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).