N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine

C14H24N2O — CID 113379516

IUPACN-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(OC(C)CC)c1
InChIInChI=1S/C14H24N2O/c1-5-7-15-10-13-8-11(3)16-14(9-13)17-12(4)6-2/h8-9,12,15H,5-7,10H2,1-4H3
InChIKeyBKQNISTUXWYFMY-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.07
Rot. Bonds7

About N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine

N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine (PubChem CID 113379516) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine
PubChem CID113379516
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cc(C)nc(OC(C)CC)c1
InChIInChI=1S/C14H24N2O/c1-5-7-15-10-13-8-11(3)16-14(9-13)17-12(4)6-2/h8-9,12,15H,5-7,10H2,1-4H3
InChIKeyBKQNISTUXWYFMY-UHFFFAOYSA-N
XLogP3.07
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.07
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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Launch Full Analysis

Related Compounds

N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276756
6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-(propylaminomethyl)pyridin-2-amine
CID 102915337
4-butan-2-yloxy-N-ethyl-6-methylpyrimidin-2-amine
CID 80866608
N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890682
N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine
CID 102985986
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]propan-1-amine
CID 62295954
N-[[2-methyl-6-(3,4,5-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 114539964
4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine
CID 129367902
6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine
CID 80866444
N-[[2-(cyclopropylmethoxy)-6-ethyl-4-pyridinyl]methyl]propan-1-amine
CID 113381597
N,6-dimethyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
CID 113379417
N-[[3,5-dimethyl-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 43276745

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine (CID 113379516) is N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine is CCCNCc1cc(C)nc(OC(C)CC)c1.
What is the InChIKey of N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is BKQNISTUXWYFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-7-15-10-13-8-11(3)16-14(9-13)17-12(4)6-2/h8-9,12,15H,5-7,10H2,1-4H3.
What are the key properties of N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine?
N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 113379516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).