2-methyl-1-(4-methylpentoxy)propan-2-amine

C10H23NO — CID 83158586

IUPAC2-methyl-1-(4-methylpentoxy)propan-2-amine
SMILESCC(C)CCCOCC(C)(C)N
InChIInChI=1S/C10H23NO/c1-9(2)6-5-7-12-8-10(3,4)11/h9H,5-8,11H2,1-4H3
InChIKeyAUKDMOSEXYJCHC-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds6

About 2-methyl-1-(4-methylpentoxy)propan-2-amine

2-methyl-1-(4-methylpentoxy)propan-2-amine (PubChem CID 83158586) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpentoxy)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methylpentoxy)propan-2-amine
PubChem CID83158586
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-methyl-1-(4-methylpentoxy)propan-2-amine
SMILESCC(C)CCCOCC(C)(C)N
InChIInChI=1S/C10H23NO/c1-9(2)6-5-7-12-8-10(3,4)11/h9H,5-8,11H2,1-4H3
InChIKeyAUKDMOSEXYJCHC-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.18
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-(3-methylbutoxy)propan-2-amine
CID 64537569
2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
CID 79627176
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
1-(4-methoxybutoxy)-2-methylpropan-2-amine
CID 104648280
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
2-methyl-1-nonoxypropan-2-amine
CID 64536580
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
2-methyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64803162

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpentoxy)propan-2-amine?
The IUPAC name of 2-methyl-1-(4-methylpentoxy)propan-2-amine (CID 83158586) is 2-methyl-1-(4-methylpentoxy)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(4-methylpentoxy)propan-2-amine?
The canonical SMILES for 2-methyl-1-(4-methylpentoxy)propan-2-amine is CC(C)CCCOCC(C)(C)N.
What is the InChIKey of 2-methyl-1-(4-methylpentoxy)propan-2-amine?
The InChIKey is AUKDMOSEXYJCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2)6-5-7-12-8-10(3,4)11/h9H,5-8,11H2,1-4H3.
What are the key properties of 2-methyl-1-(4-methylpentoxy)propan-2-amine?
2-methyl-1-(4-methylpentoxy)propan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpentoxy)propan-2-amine is sourced from PubChem (CID 83158586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).