3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine

C12H27NO — CID 61483823

IUPAC3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
SMILESCC(C)CCNCCOCCC(C)C
InChIInChI=1S/C12H27NO/c1-11(2)5-7-13-8-10-14-9-6-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyMWHBPVBHNKSYPY-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.68
Rot. Bonds9

About 3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine

3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine (PubChem CID 61483823) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
PubChem CID61483823
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
SMILESCC(C)CCNCCOCCC(C)C
InChIInChI=1S/C12H27NO/c1-11(2)5-7-13-8-10-14-9-6-12(3)4/h11-13H,5-10H2,1-4H3
InChIKeyMWHBPVBHNKSYPY-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine (CID 61483823) is 3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine is CC(C)CCNCCOCCC(C)C.
What is the InChIKey of 3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine?
The InChIKey is MWHBPVBHNKSYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-11(2)5-7-13-8-10-14-9-6-12(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine?
3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methylbutoxy)ethyl]butan-1-amine is sourced from PubChem (CID 61483823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).