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

C16H28N2O — CID 64503282

IUPACN-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine
SMILESCOc1c(C)cnc(CCCCNC(C)(C)C)c1C
InChIInChI=1S/C16H28N2O/c1-12-11-17-14(13(2)15(12)19-6)9-7-8-10-18-16(3,4)5/h11,18H,7-10H2,1-6H3
InChIKeyKFDZNLCWWYWCIE-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.42
Rot. Bonds6

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

N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine (PubChem CID 64503282) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine
PubChem CID64503282
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine
SMILESCOc1c(C)cnc(CCCCNC(C)(C)C)c1C
InChIInChI=1S/C16H28N2O/c1-12-11-17-14(13(2)15(12)19-6)9-7-8-10-18-16(3,4)5/h11,18H,7-10H2,1-6H3
InChIKeyKFDZNLCWWYWCIE-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.42
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-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylbutan-1-amine
CID 64665639
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)-N,4,4-trimethylpentan-3-amine
CID 54891204
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 83139283
4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine
CID 115410537
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 62606138
1-cyclopropyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-one
CID 64503130
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N,3,3-trimethylpentan-2-amine
CID 115843940
6-bromo-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-3-one
CID 106798917
1-methoxy-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methylpropan-2-amine
CID 62620926
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methoxy]-N-methylethanamine
CID 62336622
N-tert-butyl-4-(2,3,6-trimethylphenoxy)butan-1-amine
CID 62485325

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine?
The IUPAC name of N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine (CID 64503282) is N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine?
The canonical SMILES for N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine is COc1c(C)cnc(CCCCNC(C)(C)C)c1C.
What is the InChIKey of N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine?
The InChIKey is KFDZNLCWWYWCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-11-17-14(13(2)15(12)19-6)9-7-8-10-18-16(3,4)5/h11,18H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine?
N-tert-butyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.42, 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)butan-1-amine is sourced from PubChem (CID 64503282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).