N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine

C15H26N2O — CID 79784006

IUPACN-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCCC(C)(C)C)cn1
InChIInChI=1S/C15H26N2O/c1-12(2)16-10-13-6-7-14(11-17-13)18-9-8-15(3,4)5/h6-7,11-12,16H,8-10H2,1-5H3
InChIKeyUOZJDLHYGFRPTG-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.39
Rot. Bonds6

About N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 79784006) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID79784006
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCCC(C)(C)C)cn1
InChIInChI=1S/C15H26N2O/c1-12(2)16-10-13-6-7-14(11-17-13)18-9-8-15(3,4)5/h6-7,11-12,16H,8-10H2,1-5H3
InChIKeyUOZJDLHYGFRPTG-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 116615138
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782097
N-[[5-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782331
N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781881
N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781493
N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 102999859
butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate
CID 79782868
2-methyl-N-[[5-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794003
N-[[5-(3-methoxy-3-methylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103032855
2-bromo-5-(3,3-dimethylbutoxy)pyridine
CID 102670859

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine (CID 79784006) is N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCCC(C)(C)C)cn1.
What is the InChIKey of N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is UOZJDLHYGFRPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)16-10-13-6-7-14(11-17-13)18-9-8-15(3,4)5/h6-7,11-12,16H,8-10H2,1-5H3.
What are the key properties of N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 79784006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).