2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine

C13H29NO — CID 106456797

IUPAC2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)COCCC(C)(C)CNC(C)C
InChIInChI=1S/C13H29NO/c1-11(2)9-15-8-7-13(5,6)10-14-12(3)4/h11-12,14H,7-10H2,1-6H3
InChIKeyCREQJZUFGYXLSM-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.07
Rot. Bonds8

About 2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine

2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 106456797) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
PubChem CID106456797
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)COCCC(C)(C)CNC(C)C
InChIInChI=1S/C13H29NO/c1-11(2)9-15-8-7-13(5,6)10-14-12(3)4/h11-12,14H,7-10H2,1-6H3
InChIKeyCREQJZUFGYXLSM-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
N-tert-butyl-2,3-dimethyl-2-[2-(2-methylpropoxy)ethyl]butan-1-amine
CID 106457269
1-chloro-2-(chloromethyl)-2-methyl-4-(2-methylpropoxy)butane
CID 106459785
3-(2-ethoxyethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79619564
N-tert-butyl-2-methyl-2-[2-(2-methylpropoxy)ethyl]pentan-1-amine
CID 106456865
4-ethoxy-2-ethyl-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726303
2,2-dimethyl-N-propan-2-yl-3-propan-2-yloxypropan-1-amine
CID 79621622
3-(3-methoxy-3-methylbutoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 106666319
N-(1-methoxypropan-2-yl)-N,2,2-trimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257806
[2-methyl-5-(2-methylpropoxy)pentan-2-yl]hydrazine
CID 142399803
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2-methylpropoxy)butan-1-amine
CID 106456931
2,2-dimethoxypropane;2-methyl-1-[2-(2-methylpropoxy)ethoxy]propane
CID 162031327

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine (CID 106456797) is 2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine is CC(C)COCCC(C)(C)CNC(C)C.
What is the InChIKey of 2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is CREQJZUFGYXLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-11(2)9-15-8-7-13(5,6)10-14-12(3)4/h11-12,14H,7-10H2,1-6H3.
What are the key properties of 2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine?
2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 106456797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).