3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine

C13H22N2 — CID 81402254

IUPAC3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
SMILESCCC(C)C(C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C13H22N2/c1-5-10(2)11(3)15-12(4)13-8-6-7-9-14-13/h6-12,15H,5H2,1-4H3/t10?,11?,12-/m0/s1
InChIKeyGNVBTNFTXXFYPL-MCIGGMRASA-N
MW206.33 g/mol
LogP3.17
Rot. Bonds5

About 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine

3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine (PubChem CID 81402254) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
PubChem CID81402254
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
SMILESCCC(C)C(C)N[C@@H](C)c1ccccn1
InChIInChI=1S/C13H22N2/c1-5-10(2)11(3)15-12(4)13-8-6-7-9-14-13/h6-12,15H,5H2,1-4H3/t10?,11?,12-/m0/s1
InChIKeyGNVBTNFTXXFYPL-MCIGGMRASA-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

(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
3-methoxy-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 104865186
N-[(1R)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81401489
N-(1-iodoethyl)-1-pyridin-2-ylethanamine
CID 174262770
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 79040070
1-(4-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]propan-1-amine
CID 81401492
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
3-methyl-2-(1-pyridin-2-ylethylamino)butan-1-ol
CID 79253644
2-ethyl-N-[(1R)-1-pyridin-2-ylethyl]butan-1-amine
CID 28647872
(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 81407362
4-methoxy-4-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine
CID 81399712

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine?
The IUPAC name of 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine (CID 81402254) is 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine.
What is the SMILES notation for 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine?
The canonical SMILES for 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine is CCC(C)C(C)N[C@@H](C)c1ccccn1.
What is the InChIKey of 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine?
The InChIKey is GNVBTNFTXXFYPL-MCIGGMRASA-N. The full InChI is InChI=1S/C13H22N2/c1-5-10(2)11(3)15-12(4)13-8-6-7-9-14-13/h6-12,15H,5H2,1-4H3/t10?,11?,12-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine?
3-methyl-N-[(1S)-1-pyridin-2-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-[(1S)-1-pyridin-2-ylethyl]pentan-2-amine is sourced from PubChem (CID 81402254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).