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

C13H22N2 — CID 43202307

IUPAC3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
SMILESCCC(C)C(C)NC(C)c1ccncc1
InChIInChI=1S/C13H22N2/c1-5-10(2)11(3)15-12(4)13-6-8-14-9-7-13/h6-12,15H,5H2,1-4H3
InChIKeyPMITXOIJPSVHIN-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.17
Rot. Bonds5

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

3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine (PubChem CID 43202307) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
PubChem CID43202307
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine
SMILESCCC(C)C(C)NC(C)c1ccncc1
InChIInChI=1S/C13H22N2/c1-5-10(2)11(3)15-12(4)13-6-8-14-9-7-13/h6-12,15H,5H2,1-4H3
InChIKeyPMITXOIJPSVHIN-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-ylethyl)pentan-3-amine
CID 43766850
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine
CID 81352829
1,1-difluoro-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 102869888
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732
2,2-dimethyl-N-(1-pyridin-4-ylethyl)pentan-3-amine
CID 115880423
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
CID 28644656
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927
1-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 104866879
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
3-methyl-1-(1-pyridin-4-ylethylamino)pentan-2-ol
CID 115880427

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine?
The IUPAC name of 3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine (CID 43202307) is 3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine.
What is the SMILES notation for 3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine?
The canonical SMILES for 3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine is CCC(C)C(C)NC(C)c1ccncc1.
What is the InChIKey of 3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine?
The InChIKey is PMITXOIJPSVHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-10(2)11(3)15-12(4)13-6-8-14-9-7-13/h6-12,15H,5H2,1-4H3.
What are the key properties of 3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine?
3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-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 3-methyl-N-(1-pyridin-4-ylethyl)pentan-2-amine is sourced from PubChem (CID 43202307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).