1-[2-(4-methylpentoxy)propoxy]propan-2-amine

C12H27NO2 — CID 122644804

IUPAC1-[2-(4-methylpentoxy)propoxy]propan-2-amine
SMILESCC(C)CCCOC(C)COCC(C)N
InChIInChI=1S/C12H27NO2/c1-10(2)6-5-7-15-12(4)9-14-8-11(3)13/h10-12H,5-9,13H2,1-4H3
InChIKeyLNRAGZAXSPCOSK-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.19
Rot. Bonds9

About 1-[2-(4-methylpentoxy)propoxy]propan-2-amine

1-[2-(4-methylpentoxy)propoxy]propan-2-amine (PubChem CID 122644804) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-[2-(4-methylpentoxy)propoxy]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-methylpentoxy)propoxy]propan-2-amine
PubChem CID122644804
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-[2-(4-methylpentoxy)propoxy]propan-2-amine
SMILESCC(C)CCCOC(C)COCC(C)N
InChIInChI=1S/C12H27NO2/c1-10(2)6-5-7-15-12(4)9-14-8-11(3)13/h10-12H,5-9,13H2,1-4H3
InChIKeyLNRAGZAXSPCOSK-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 57790395
CID 57790395
CID 103028572
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CID 61647951
CID 61647951
CID 61648004
CID 61648004
CID 103283123
CID 103283123
CID 103283124
CID 103283124
CID 113835327
CID 113835327
CID 157959713
CID 157959713
CID 10080858
CID 10080858
CID 15745497
CID 15745497
CID 19832636
CID 19832636
CID 20201207
CID 20201207

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpentoxy)propoxy]propan-2-amine?
The IUPAC name of 1-[2-(4-methylpentoxy)propoxy]propan-2-amine (CID 122644804) is 1-[2-(4-methylpentoxy)propoxy]propan-2-amine.
What is the SMILES notation for 1-[2-(4-methylpentoxy)propoxy]propan-2-amine?
The canonical SMILES for 1-[2-(4-methylpentoxy)propoxy]propan-2-amine is CC(C)CCCOC(C)COCC(C)N.
What is the InChIKey of 1-[2-(4-methylpentoxy)propoxy]propan-2-amine?
The InChIKey is LNRAGZAXSPCOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(2)6-5-7-15-12(4)9-14-8-11(3)13/h10-12H,5-9,13H2,1-4H3.
What are the key properties of 1-[2-(4-methylpentoxy)propoxy]propan-2-amine?
1-[2-(4-methylpentoxy)propoxy]propan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpentoxy)propoxy]propan-2-amine is sourced from PubChem (CID 122644804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).