2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine

C13H22N2 — CID 43766850

IUPAC2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
SMILESCCC(NC(C)c1ccncc1)C(C)C
InChIInChI=1S/C13H22N2/c1-5-13(10(2)3)15-11(4)12-6-8-14-9-7-12/h6-11,13,15H,5H2,1-4H3
InChIKeyZPURBLMXWCLVDI-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.17
Rot. Bonds5

About 2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine

2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine (PubChem CID 43766850) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
PubChem CID43766850
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
SMILESCCC(NC(C)c1ccncc1)C(C)C
InChIInChI=1S/C13H22N2/c1-5-13(10(2)3)15-11(4)12-6-8-14-9-7-12/h6-11,13,15H,5H2,1-4H3
InChIKeyZPURBLMXWCLVDI-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(1-pyridin-4-ylpropyl)pentan-3-amine
CID 115723432
1-methoxy-3-methyl-N-(1-pyridin-4-ylethyl)butan-2-amine
CID 65047820
1-methoxy-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81406317
2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 115880423
N-[1-(4-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 61468699
3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
CID 43202307
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
CID 28644656
N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43788964
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405940
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405768
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine?
The IUPAC name of 2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine (CID 43766850) is 2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine.
What is the SMILES notation for 2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine?
The canonical SMILES for 2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine is CCC(NC(C)c1ccncc1)C(C)C.
What is the InChIKey of 2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine?
The InChIKey is ZPURBLMXWCLVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-13(10(2)3)15-11(4)12-6-8-14-9-7-12/h6-11,13,15H,5H2,1-4H3.
What are the key properties of 2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine?
2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine has a molecular weight of 206.33 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-pyridin-4-ylethyl)pentan-3-amine is sourced from PubChem (CID 43766850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).