1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine

C14H24N2O — CID 66233116

IUPAC1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine
SMILESCC(N)C(OCCC(C)(C)C)c1cccnc1
InChIInChI=1S/C14H24N2O/c1-11(15)13(12-6-5-8-16-10-12)17-9-7-14(2,3)4/h5-6,8,10-11,13H,7,9,15H2,1-4H3
InChIKeyCYISYFWXNXIPHU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.92
Rot. Bonds5

About 1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine

1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine (PubChem CID 66233116) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine
PubChem CID66233116
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine
SMILESCC(N)C(OCCC(C)(C)C)c1cccnc1
InChIInChI=1S/C14H24N2O/c1-11(15)13(12-6-5-8-16-10-12)17-9-7-14(2,3)4/h5-6,8,10-11,13H,7,9,15H2,1-4H3
InChIKeyCYISYFWXNXIPHU-UHFFFAOYSA-N
XLogP2.92
TPSA48.14 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxypropoxy)ethoxy]-1-pyridin-3-ylpropan-2-amine
CID 103176909
1-pentan-2-yloxy-1-pyridin-3-ylpropan-2-amine
CID 102980637
1-[2-(2-methylpropoxy)ethoxy]-1-pyridin-3-ylbutan-2-amine
CID 106446893
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 81059160
4-propan-2-yloxy-1-pyridin-3-ylbutan-1-amine
CID 21156680
4-(2-amino-1-pyridin-3-ylpropoxy)-3,5-dimethylbenzonitrile
CID 65455818
1-(3,3-dimethylbutoxy)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 66233569
3-(3,3-dimethylbutan-2-yl)pyridine
CID 59751404
1-(3,3-dimethylbutoxy)-1-(3-methoxyphenyl)butan-2-amine
CID 66233118
amino(pyridin-3-yl)methanethiol
CID 116939546

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine?
The IUPAC name of 1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine (CID 66233116) is 1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine.
What is the SMILES notation for 1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine?
The canonical SMILES for 1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine is CC(N)C(OCCC(C)(C)C)c1cccnc1.
What is the InChIKey of 1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine?
The InChIKey is CYISYFWXNXIPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(15)13(12-6-5-8-16-10-12)17-9-7-14(2,3)4/h5-6,8,10-11,13H,7,9,15H2,1-4H3.
What are the key properties of 1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine?
1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutoxy)-1-pyridin-3-ylpropan-2-amine is sourced from PubChem (CID 66233116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).