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

C13H22N2O — CID 62289954

IUPACN-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)COc1ncccc1CNC(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)9-16-13-12(6-5-7-14-13)8-15-11(3)4/h5-7,10-11,15H,8-9H2,1-4H3
InChIKeyGDMAQCBREOYPBO-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.61
Rot. Bonds6

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

N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62289954) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62289954
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)COc1ncccc1CNC(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)9-16-13-12(6-5-7-14-13)8-15-11(3)4/h5-7,10-11,15H,8-9H2,1-4H3
InChIKeyGDMAQCBREOYPBO-UHFFFAOYSA-N
XLogP2.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
CID 103285396
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-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341
2-[2-(2-methylpropoxy)-3-pyridinyl]acetic acid
CID 83884318
N-[[2-(2-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62296049
N-[[2-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297086
N-[[2-(2,3,6-trimethylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322927
N-[[2-(2-methylsulfanylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63648734
N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82832222
N-methyl-N-[2-[[3-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]ethyl]cyclopropanamine
CID 102740542

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine (CID 62289954) is N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)COc1ncccc1CNC(C)C.
What is the InChIKey of N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is GDMAQCBREOYPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)9-16-13-12(6-5-7-14-13)8-15-11(3)4/h5-7,10-11,15H,8-9H2,1-4H3.
What are the key properties of N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 222.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62289954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).