N-(4,4-dimethylpentoxy)-N-methylpropan-2-amine

C11H25NO — CID 176846738

IUPACN-(4,4-dimethylpentoxy)-N-methylpropan-2-amine
SMILESCC(C)N(C)OCCCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(2)12(6)13-9-7-8-11(3,4)5/h10H,7-9H2,1-6H3
InChIKeyXFQKMOSCZOQEPE-UHFFFAOYSA-N
MW187.33 g/mol
LogP3.08
Rot. Bonds5

About N-(4,4-dimethylpentoxy)-N-methylpropan-2-amine

N-(4,4-dimethylpentoxy)-N-methylpropan-2-amine (PubChem CID 176846738) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N-(4,4-dimethylpentoxy)-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-(4,4-dimethylpentoxy)-N-methylpropan-2-amine
PubChem CID176846738
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN-(4,4-dimethylpentoxy)-N-methylpropan-2-amine
SMILESCC(C)N(C)OCCCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(2)12(6)13-9-7-8-11(3,4)5/h10H,7-9H2,1-6H3
InChIKeyXFQKMOSCZOQEPE-UHFFFAOYSA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4,4-dimethylpentoxy)ethanamine
CID 134445550
4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane
CID 176777068
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
CID 131972641
1-(3,3-dimethylbutoxy)-17-methyloctadecane;1-(4,4-dimethylpentoxy)-15-methylhexadecane
CID 161487633
10,10-dimethyl-1-(2-methylpropoxy)undecane
CID 151746454
1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecachloro-1-(4,4-dimethylpentoxy)-15-methylhexadecane
CID 126578434
1-(4,4-dimethylpentoxy)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 146353332
1-ethoxy-10,10-dimethylundecane
CID 150524219
1-ethenoxy-4,4-dimethylpentane
CID 58671996
1-ethoxy-6,6-dimethylheptane
CID 58021102
5-(3,3-dimethylbutoxy)pentan-2-ol
CID 66227654

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentoxy)-N-methylpropan-2-amine?
The IUPAC name of N-(4,4-dimethylpentoxy)-N-methylpropan-2-amine (CID 176846738) is N-(4,4-dimethylpentoxy)-N-methylpropan-2-amine.
What is the SMILES notation for N-(4,4-dimethylpentoxy)-N-methylpropan-2-amine?
The canonical SMILES for N-(4,4-dimethylpentoxy)-N-methylpropan-2-amine is CC(C)N(C)OCCCC(C)(C)C.
What is the InChIKey of N-(4,4-dimethylpentoxy)-N-methylpropan-2-amine?
The InChIKey is XFQKMOSCZOQEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2)12(6)13-9-7-8-11(3,4)5/h10H,7-9H2,1-6H3.
What are the key properties of N-(4,4-dimethylpentoxy)-N-methylpropan-2-amine?
N-(4,4-dimethylpentoxy)-N-methylpropan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentoxy)-N-methylpropan-2-amine is sourced from PubChem (CID 176846738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).