2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine

C11H25NO — CID 79627176

IUPAC2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
SMILESCC(C)CCCOCC(C)(C)CN
InChIInChI=1S/C11H25NO/c1-10(2)6-5-7-13-9-11(3,4)8-12/h10H,5-9,12H2,1-4H3
InChIKeyOSTFIVZTWIGTEY-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.42
Rot. Bonds7

About 2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine

2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine (PubChem CID 79627176) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
PubChem CID79627176
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
SMILESCC(C)CCCOCC(C)(C)CN
InChIInChI=1S/C11H25NO/c1-10(2)6-5-7-13-9-11(3,4)8-12/h10H,5-9,12H2,1-4H3
InChIKeyOSTFIVZTWIGTEY-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.42
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

2-methyl-1-(4-methylpentoxy)propan-2-amine
CID 83158586
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropan-1-amine
CID 103406340
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
ethane;2,2,7-trimethyloctan-1-amine
CID 142541342
methyl 2,2-dimethyl-3-(4-methylpentoxy)propanoate
CID 79623214
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
N-benzyl-2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
CID 115925386
2-methyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64803162

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine (CID 79627176) is 2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine is CC(C)CCCOCC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine?
The InChIKey is OSTFIVZTWIGTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2)6-5-7-13-9-11(3,4)8-12/h10H,5-9,12H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine?
2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine is sourced from PubChem (CID 79627176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).