N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine

C13H29NO2 — CID 138672241

IUPACN-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
SMILESCOCCCCOCCCCNC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-13(2,3)14-9-5-6-11-16-12-8-7-10-15-4/h14H,5-12H2,1-4H3
InChIKeyHDKKHKAPYVUITC-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.60
Rot. Bonds10

About N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine

N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine (PubChem CID 138672241) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
PubChem CID138672241
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-tert-butyl-4-(4-methoxybutoxy)butan-1-amine
SMILESCOCCCCOCCCCNC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-13(2,3)14-9-5-6-11-16-12-8-7-10-15-4/h14H,5-12H2,1-4H3
InChIKeyHDKKHKAPYVUITC-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.60
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

N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424
N-[3-[3-(2-methoxyethoxy)propoxy]propyl]-2-methylpropan-2-amine
CID 103401793
N-tert-butyl-4-[4-[(2-methylpropan-2-yl)oxy]butoxy]butan-1-amine
CID 118912417
N-tert-butyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958390
N-tert-butyl-4-(2-propan-2-yloxyethoxy)butan-1-amine
CID 62457092
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
N-[3-[2-(2-butoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274543
N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274546
2-[3-(tert-butylamino)propoxy]ethanol
CID 150900173
N-[3-(3-ethoxypropoxy)propyl]-2-methylpropan-2-amine
CID 155219490
N-tert-butyl-4-(2-methoxyethylsulfanyl)butan-1-amine
CID 62579056

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine (CID 138672241) is N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine is COCCCCOCCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine?
The InChIKey is HDKKHKAPYVUITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-13(2,3)14-9-5-6-11-16-12-8-7-10-15-4/h14H,5-12H2,1-4H3.
What are the key properties of N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine?
N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-methoxybutoxy)butan-1-amine is sourced from PubChem (CID 138672241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).