N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine

C15H26N2O — CID 79781493

IUPACN-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCCCC(C)COc1ccc(CNC(C)C)nc1
InChIInChI=1S/C15H26N2O/c1-5-6-13(4)11-18-15-8-7-14(17-10-15)9-16-12(2)3/h7-8,10,12-13,16H,5-6,9,11H2,1-4H3
InChIKeyLIANKVUSTJAJLX-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.39
Rot. Bonds8

About N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 79781493) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID79781493
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCCCC(C)COc1ccc(CNC(C)C)nc1
InChIInChI=1S/C15H26N2O/c1-5-6-13(4)11-18-15-8-7-14(17-10-15)9-16-12(2)3/h7-8,10,12-13,16H,5-6,9,11H2,1-4H3
InChIKeyLIANKVUSTJAJLX-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-(2,2-difluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782331
methyl 2-[5-(2-methylpentoxy)-2-pyridinyl]acetate
CID 170640549
ethyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]pentanoate
CID 83037341
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711
N-[[6-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 103285393
N-[[5-(1-methoxypropan-2-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781881
N-[[5-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79784006
N-[[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782732
butyl 2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetate
CID 79782868
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]methanamine
CID 79775957
N-[[5-(3-phenylprop-2-ynoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79784026
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782097

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine (CID 79781493) is N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine is CCCC(C)COc1ccc(CNC(C)C)nc1.
What is the InChIKey of N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is LIANKVUSTJAJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-6-13(4)11-18-15-8-7-14(17-10-15)9-16-12(2)3/h7-8,10,12-13,16H,5-6,9,11H2,1-4H3.
What are the key properties of N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 250.39 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 79781493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).