N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine

C15H26N2O — CID 103285396

IUPACN-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCCCC(C)COc1ncccc1CNC(C)C
InChIInChI=1S/C15H26N2O/c1-5-7-13(4)11-18-15-14(8-6-9-16-15)10-17-12(2)3/h6,8-9,12-13,17H,5,7,10-11H2,1-4H3
InChIKeyCCNPQUNCXMXQLY-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.39
Rot. Bonds8

About N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 103285396) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID103285396
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCCCC(C)COc1ncccc1CNC(C)C
InChIInChI=1S/C15H26N2O/c1-5-7-13(4)11-18-15-14(8-6-9-16-15)10-17-12(2)3/h6,8-9,12-13,17H,5,7,10-11H2,1-4H3
InChIKeyCCNPQUNCXMXQLY-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-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62288607
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82831234
N-[[2-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297086
N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296049
N-[(2-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341
N-[[6-(2-methylpentoxy)-2-pyridinyl]methyl]propan-2-amine
CID 103285393
N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63648734
N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322927
N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine
CID 102740542
N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82832222

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine (CID 103285396) is N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine is CCCC(C)COc1ncccc1CNC(C)C.
What is the InChIKey of N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is CCNPQUNCXMXQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-7-13(4)11-18-15-14(8-6-9-16-15)10-17-12(2)3/h6,8-9,12-13,17H,5,7,10-11H2,1-4H3.
What are the key properties of N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[2-(2-methylpentoxy)-3-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-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 103285396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).