N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine

C11H18N2 — CID 116931877

IUPACN-methyl-2-(pyridin-2-ylmethyl)butan-1-amine
SMILESCCC(CNC)Cc1ccccn1
InChIInChI=1S/C11H18N2/c1-3-10(9-12-2)8-11-6-4-5-7-13-11/h4-7,10,12H,3,8-9H2,1-2H3
InChIKeyLAAZGQQLCSDLNL-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.87
Rot. Bonds5

About N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine

N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine (PubChem CID 116931877) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(pyridin-2-ylmethyl)butan-1-amine
PubChem CID116931877
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-methyl-2-(pyridin-2-ylmethyl)butan-1-amine
SMILESCCC(CNC)Cc1ccccn1
InChIInChI=1S/C11H18N2/c1-3-10(9-12-2)8-11-6-4-5-7-13-11/h4-7,10,12H,3,8-9H2,1-2H3
InChIKeyLAAZGQQLCSDLNL-UHFFFAOYSA-N
XLogP1.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 115255161
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
3-methoxy-N-methyl-1-pyridin-2-ylpentan-2-amine
CID 116715417
2-(4-methyl-2-propylpentyl)pyridine
CID 57227935
(2S)-2-ethyl-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 7036530
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
2-(ethylamino)-3-pyridin-2-ylpropanoic acid
CID 83698578
3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one
CID 116586998
1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 79408815
N-methyl-2-pyridin-2-ylethanamine;hydroiodide
CID 135260552
1-pyridin-2-ylpentan-2-ylhydrazine
CID 105199777

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine?
The IUPAC name of N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine (CID 116931877) is N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine is CCC(CNC)Cc1ccccn1.
What is the InChIKey of N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine?
The InChIKey is LAAZGQQLCSDLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-10(9-12-2)8-11-6-4-5-7-13-11/h4-7,10,12H,3,8-9H2,1-2H3.
What are the key properties of N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine?
N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 116931877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).