4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine

C15H32NO- — CID 90875916

IUPAC4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine
SMILESCC[C-](C)CCOCCNCCCC(C)CC
InChIInChI=1S/C15H32NO/c1-5-14(3)8-7-10-16-11-13-17-12-9-15(4)6-2/h14,16H,5-13H2,1-4H3/q-1
InChIKeyYFBQYNFHECMXOD-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.81
Rot. Bonds12

About 4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine

4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine (PubChem CID 90875916) has the molecular formula C15H32NO- and a molecular weight of 242.43 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine
PubChem CID90875916
Molecular FormulaC15H32NO-
Molecular Weight242.43 g/mol
Exact Mass242.25
IUPAC Name4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine
SMILESCC[C-](C)CCOCCNCCCC(C)CC
InChIInChI=1S/C15H32NO/c1-5-14(3)8-7-10-16-11-13-17-12-9-15(4)6-2/h14,16H,5-13H2,1-4H3/q-1
InChIKeyYFBQYNFHECMXOD-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine?
The IUPAC name of 4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine (CID 90875916) is 4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine is CC[C-](C)CCOCCNCCCC(C)CC.
What is the InChIKey of 4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine?
The InChIKey is YFBQYNFHECMXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32NO/c1-5-14(3)8-7-10-16-11-13-17-12-9-15(4)6-2/h14,16H,5-13H2,1-4H3/q-1.
What are the key properties of 4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine?
4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine has a molecular weight of 242.43 g/mol, XLogP of 3.81, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-methylpentoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 90875916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).