N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine

C14H24N2O — CID 146332090

IUPACN-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine
SMILESCc1cc(OC(C)CCNC(C)(C)C)ccn1
InChIInChI=1S/C14H24N2O/c1-11-10-13(7-8-15-11)17-12(2)6-9-16-14(3,4)5/h7-8,10,12,16H,6,9H2,1-5H3
InChIKeyAFABZGBOVBUJBG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.94
Rot. Bonds5

About N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine

N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine (PubChem CID 146332090) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine
PubChem CID146332090
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine
SMILESCc1cc(OC(C)CCNC(C)(C)C)ccn1
InChIInChI=1S/C14H24N2O/c1-11-10-13(7-8-15-11)17-12(2)6-9-16-14(3,4)5/h7-8,10,12,16H,6,9H2,1-5H3
InChIKeyAFABZGBOVBUJBG-UHFFFAOYSA-N
XLogP2.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine
CID 126671936
N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine
CID 107170796
N-tert-butyl-4-(3-tert-butylphenoxy)pentan-1-amine
CID 63496114
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
N-tert-butyl-3-(2,3-dimethylphenoxy)butan-1-amine
CID 114996294
4-(2,2-dimethylpropoxy)-2-methylpyridine
CID 135279378
tert-butyl-[3-[(2-chloro-4-pyridinyl)oxy]butoxy]-dimethylsilane
CID 171372611
2-methyl-N-(2-quinolin-7-yloxypropyl)propan-2-amine
CID 107314978
N-tert-butyl-3-methoxybutan-1-amine
CID 115601002
N-[2-(4-bromo-3-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 83140591
N-tert-butyl-4-(2-methylphenoxy)pentan-1-amine
CID 55076647
N-tert-butyl-4-(2-chloro-5-methylphenoxy)pentan-1-amine
CID 62485518

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine?
The IUPAC name of N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine (CID 146332090) is N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine?
The canonical SMILES for N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine is Cc1cc(OC(C)CCNC(C)(C)C)ccn1.
What is the InChIKey of N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine?
The InChIKey is AFABZGBOVBUJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-10-13(7-8-15-11)17-12(2)6-9-16-14(3,4)5/h7-8,10,12,16H,6,9H2,1-5H3.
What are the key properties of N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine?
N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2-methyl-4-pyridinyl)oxy]butan-1-amine is sourced from PubChem (CID 146332090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).