2-(4-methylpentoxy)pentan-3-amine

C11H25NO — CID 43127709

IUPAC2-(4-methylpentoxy)pentan-3-amine
SMILESCCC(N)C(C)OCCCC(C)C
InChIInChI=1S/C11H25NO/c1-5-11(12)10(4)13-8-6-7-9(2)3/h9-11H,5-8,12H2,1-4H3
InChIKeyLVBWGMYDLFHRRF-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.57
Rot. Bonds7

About 2-(4-methylpentoxy)pentan-3-amine

2-(4-methylpentoxy)pentan-3-amine (PubChem CID 43127709) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-(4-methylpentoxy)pentan-3-amine.

Molecular Properties

Compound Name2-(4-methylpentoxy)pentan-3-amine
PubChem CID43127709
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-(4-methylpentoxy)pentan-3-amine
SMILESCCC(N)C(C)OCCCC(C)C
InChIInChI=1S/C11H25NO/c1-5-11(12)10(4)13-8-6-7-9(2)3/h9-11H,5-8,12H2,1-4H3
InChIKeyLVBWGMYDLFHRRF-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
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-octoxypentan-3-amine
CID 43127877
4-methyl-1-(3-methylbutan-2-yloxy)pentane
CID 123348302
1-(4-fluorophenyl)-1-(4-methylpentoxy)butan-2-amine
CID 55015028
1-(17-methyloctadecoxy)ethanol
CID 87458732
2,8-dimethylnonane;1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
CID 157236499
3-[chloro(4-methylpentoxy)methyl]pentane
CID 23124418
1,1-diethoxy-6-methylheptan-2-amine
CID 83160850
2,34-dimethylpentatriacontan-18-amine
CID 141007495
3-(4-methylpentoxy)pentanenitrile
CID 43368158
6-methyl-1,1-dioctoxyheptane
CID 171428766
6-(2-methylpropoxy)hexan-3-amine
CID 106454406
3-pentoxybutan-2-amine
CID 61352378

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentoxy)pentan-3-amine?
The IUPAC name of 2-(4-methylpentoxy)pentan-3-amine (CID 43127709) is 2-(4-methylpentoxy)pentan-3-amine.
What is the SMILES notation for 2-(4-methylpentoxy)pentan-3-amine?
The canonical SMILES for 2-(4-methylpentoxy)pentan-3-amine is CCC(N)C(C)OCCCC(C)C.
What is the InChIKey of 2-(4-methylpentoxy)pentan-3-amine?
The InChIKey is LVBWGMYDLFHRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-11(12)10(4)13-8-6-7-9(2)3/h9-11H,5-8,12H2,1-4H3.
What are the key properties of 2-(4-methylpentoxy)pentan-3-amine?
2-(4-methylpentoxy)pentan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentoxy)pentan-3-amine is sourced from PubChem (CID 43127709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).