2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine

C15H26N2O — CID 62290330

IUPAC2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CCOc1ncccc1CNCC(C)C
InChIInChI=1S/C15H26N2O/c1-12(2)7-9-18-15-14(6-5-8-17-15)11-16-10-13(3)4/h5-6,8,12-13,16H,7,9-11H2,1-4H3
InChIKeyRSOKAQINWBSYOL-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.25
Rot. Bonds8

About 2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine

2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 62290330) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
PubChem CID62290330
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
SMILESCC(C)CCOc1ncccc1CNCC(C)C
InChIInChI=1S/C15H26N2O/c1-12(2)7-9-18-15-14(6-5-8-17-15)11-16-10-13(3)4/h5-6,8,12-13,16H,7,9-11H2,1-4H3
InChIKeyRSOKAQINWBSYOL-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290152
N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 62292560
2-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296801
2-(3-methylbutoxy)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61483713
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
2-methyl-N-[[2-(oxan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291392
N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64854495
[2-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 28994806
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
N-[[2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323270

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine (CID 62290330) is 2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine is CC(C)CCOc1ncccc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is RSOKAQINWBSYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)7-9-18-15-14(6-5-8-17-15)11-16-10-13(3)4/h5-6,8,12-13,16H,7,9-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine?
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62290330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).