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

C14H24N2O — CID 62296126

IUPACN-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)Oc1ccnc(CNCC(C)C)c1
InChIInChI=1S/C14H24N2O/c1-5-12(4)17-14-6-7-16-13(8-14)10-15-9-11(2)3/h6-8,11-12,15H,5,9-10H2,1-4H3
InChIKeyCOJOWHUFFIQHFY-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.00
Rot. Bonds7

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

N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine (PubChem CID 62296126) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
PubChem CID62296126
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)Oc1ccnc(CNCC(C)C)c1
InChIInChI=1S/C14H24N2O/c1-5-12(4)17-14-6-7-16-13(8-14)10-15-9-11(2)3/h6-8,11-12,15H,5,9-10H2,1-4H3
InChIKeyCOJOWHUFFIQHFY-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-butan-2-yloxy-2-pyridinyl)methyl]propan-1-amine
CID 62295954
2-methyl-N-[[4-(1-phenylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62290876
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104566255
N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62295739
N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82718553
N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64730619
N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601790
4-butan-2-yloxypyridine-2-carboxylic acid
CID 60903768
[4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine
CID 62292280
N-[[2-(1-methoxypropyl)pyrimidin-4-yl]methyl]-2-methylpropan-1-amine
CID 116731108
N-methyl-2-[(2-methylpropylamino)methyl]-N-phenylpyridin-4-amine
CID 62284741
N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 55058387

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine (CID 62296126) is N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine is CCC(C)Oc1ccnc(CNCC(C)C)c1.
What is the InChIKey of N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine?
The InChIKey is COJOWHUFFIQHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-12(4)17-14-6-7-16-13(8-14)10-15-9-11(2)3/h6-8,11-12,15H,5,9-10H2,1-4H3.
What are the key properties of N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine?
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62296126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).