N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine

C14H24N2O — CID 55073143

IUPACN-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine
SMILESCc1ccc(OCCCCNC(C)(C)C)cn1
InChIInChI=1S/C14H24N2O/c1-12-7-8-13(11-15-12)17-10-6-5-9-16-14(2,3)4/h7-8,11,16H,5-6,9-10H2,1-4H3
InChIKeyQCJDDQJPHNXVRA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.94
Rot. Bonds6

About N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine

N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine (PubChem CID 55073143) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine
PubChem CID55073143
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine
SMILESCc1ccc(OCCCCNC(C)(C)C)cn1
InChIInChI=1S/C14H24N2O/c1-12-7-8-13(11-15-12)17-10-6-5-9-16-14(2,3)4/h7-8,11,16H,5-6,9-10H2,1-4H3
InChIKeyQCJDDQJPHNXVRA-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.94
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-(6-methyl-3-pyridinyl)butan-1-amine
CID 104823808
5-butoxy-2-methylpyridine
CID 13154052
N-tert-butyl-5-(4-tert-butylphenoxy)pentan-1-amine
CID 63497163
2-methyl-N-[[4-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62440308
N-tert-butyl-4-(3,5-dimethylphenoxy)butan-1-amine
CID 2250755
2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907533
N-tert-butyl-5-quinolin-3-yloxypentan-1-amine
CID 107387805
2-methyl-N-[2-[(6-methyl-3-pyridinyl)oxy]-2-phenylethyl]propan-2-amine
CID 62442215
N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104647123
2,2,2-trifluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]ethanamine
CID 62584388
4-fluoro-N-[2-[(6-methyl-3-pyridinyl)oxy]ethyl]aniline
CID 55093405
2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62440301

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine?
The IUPAC name of N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine (CID 55073143) is N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine?
The canonical SMILES for N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine is Cc1ccc(OCCCCNC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine?
The InChIKey is QCJDDQJPHNXVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-7-8-13(11-15-12)17-10-6-5-9-16-14(2,3)4/h7-8,11,16H,5-6,9-10H2,1-4H3.
What are the key properties of N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine?
N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(6-methyl-3-pyridinyl)oxy]butan-1-amine is sourced from PubChem (CID 55073143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).