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

C13H22N2 — CID 43203538

IUPAC4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
SMILESCC(C)CC(C)NC(C)c1cccnc1
InChIInChI=1S/C13H22N2/c1-10(2)8-11(3)15-12(4)13-6-5-7-14-9-13/h5-7,9-12,15H,8H2,1-4H3
InChIKeyPLYKWHPRSPOZOX-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.17
Rot. Bonds5

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

4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine (PubChem CID 43203538) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
PubChem CID43203538
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
SMILESCC(C)CC(C)NC(C)c1cccnc1
InChIInChI=1S/C13H22N2/c1-10(2)8-11(3)15-12(4)13-6-5-7-14-9-13/h5-7,9-12,15H,8H2,1-4H3
InChIKeyPLYKWHPRSPOZOX-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

1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
1-methylsulfonyl-N-(1-pyridin-3-ylethyl)propan-2-amine
CID 64631940
1-methylsulfonyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81405088
5-methyl-N-(1-pyridin-3-ylethyl)heptan-3-amine
CID 43203612
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine
CID 104583908
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
methyl 3-(1-pyridin-3-ylethylamino)butanoate
CID 43537085
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine (CID 43203538) is 4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine is CC(C)CC(C)NC(C)c1cccnc1.
What is the InChIKey of 4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine?
The InChIKey is PLYKWHPRSPOZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)8-11(3)15-12(4)13-6-5-7-14-9-13/h5-7,9-12,15H,8H2,1-4H3.
What are the key properties of 4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine?
4-methyl-N-(1-pyridin-3-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 4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine is sourced from PubChem (CID 43203538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).