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

C12H27NO — CID 142623169

IUPACN-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine
SMILESCCCN(C)CCOCCCC(C)C
InChIInChI=1S/C12H27NO/c1-5-8-13(4)9-11-14-10-6-7-12(2)3/h12H,5-11H2,1-4H3
InChIKeyYMGJSWOVNZBCEJ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.78
Rot. Bonds9

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

N-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine (PubChem CID 142623169) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine
PubChem CID142623169
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine
SMILESCCCN(C)CCOCCCC(C)C
InChIInChI=1S/C12H27NO/c1-5-8-13(4)9-11-14-10-6-7-12(2)3/h12H,5-11H2,1-4H3
InChIKeyYMGJSWOVNZBCEJ-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine?
The IUPAC name of N-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine (CID 142623169) is N-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine is CCCN(C)CCOCCCC(C)C.
What is the InChIKey of N-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine?
The InChIKey is YMGJSWOVNZBCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-5-8-13(4)9-11-14-10-6-7-12(2)3/h12H,5-11H2,1-4H3.
What are the key properties of N-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine?
N-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine is sourced from PubChem (CID 142623169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).