N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine

C17H30N2O — CID 64665639

IUPACN-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine
SMILESCOc1c(C)cnc(CCC(C)CNC(C)(C)C)c1C
InChIInChI=1S/C17H30N2O/c1-12(10-19-17(4,5)6)8-9-15-14(3)16(20-7)13(2)11-18-15/h11-12,19H,8-10H2,1-7H3
InChIKeyVTHMYRONQDXQGK-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.66
Rot. Bonds6

About N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine

N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine (PubChem CID 64665639) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine
PubChem CID64665639
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine
SMILESCOc1c(C)cnc(CCC(C)CNC(C)(C)C)c1C
InChIInChI=1S/C17H30N2O/c1-12(10-19-17(4,5)6)8-9-15-14(3)16(20-7)13(2)11-18-15/h11-12,19H,8-10H2,1-7H3
InChIKeyVTHMYRONQDXQGK-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine
CID 64503282
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,4,4-trimethylpentan-3-amine
CID 54891204
4-chloro-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbutan-1-amine
CID 66089924
N-tert-butyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylbut-3-en-1-amine
CID 102641299
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4,5,5-trimethylhexan-2-ol
CID 115788139
2-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propan-1-amine
CID 102698009
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpentan-3-amine
CID 54954917
3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 62531087
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640970
1-(2-methoxy-3,3-dimethylbutyl)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylguanidine
CID 111710125
1-methoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylpropan-2-amine
CID 62620926

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine (CID 64665639) is N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine is COc1c(C)cnc(CCC(C)CNC(C)(C)C)c1C.
What is the InChIKey of N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine?
The InChIKey is VTHMYRONQDXQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(10-19-17(4,5)6)8-9-15-14(3)16(20-7)13(2)11-18-15/h11-12,19H,8-10H2,1-7H3.
What are the key properties of N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine?
N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.66, 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-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine is sourced from PubChem (CID 64665639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).