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

C15H33NO — CID 102905338

IUPAC3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine
SMILESCC(C)CCOCCNCC(C(C)C)C(C)C
InChIInChI=1S/C15H33NO/c1-12(2)7-9-17-10-8-16-11-15(13(3)4)14(5)6/h12-16H,7-11H2,1-6H3
InChIKeyLBZMQJNQHKCGMB-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.57
Rot. Bonds10

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

3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine (PubChem CID 102905338) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine
PubChem CID102905338
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine
SMILESCC(C)CCOCCNCC(C(C)C)C(C)C
InChIInChI=1S/C15H33NO/c1-12(2)7-9-17-10-8-16-11-15(13(3)4)14(5)6/h12-16H,7-11H2,1-6H3
InChIKeyLBZMQJNQHKCGMB-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.57
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

N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
2-[2-(3-methylbutoxy)ethylamino]ethanol
CID 61483708
2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen
CID 157169252
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947
2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine
CID 65023767
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
N-[2-(3-methylbutoxy)ethyl]but-3-yn-1-amine
CID 63656269
5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 107319913
3-methyl-2-[2-(3-methylbutoxy)ethyl]-N-(2-methylpropyl)butan-1-amine
CID 62530540
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine (CID 102905338) is 3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine is CC(C)CCOCCNCC(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine?
The InChIKey is LBZMQJNQHKCGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-12(2)7-9-17-10-8-16-11-15(13(3)4)14(5)6/h12-16H,7-11H2,1-6H3.
What are the key properties of 3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine?
3-methyl-N-[2-(3-methylbutoxy)ethyl]-2-propan-2-ylbutan-1-amine has a molecular weight of 243.43 g/mol, XLogP of 3.57, 10 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]-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102905338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).