6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine

C11H17ClN2 — CID 97358406

IUPAC6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine
SMILESCC(C)C[C@H](C)Nc1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2/c1-8(2)6-9(3)14-10-4-5-11(12)13-7-10/h4-5,7-9,14H,6H2,1-3H3/t9-/m0/s1
InChIKeyRZGAOSHXYJFXSE-VIFPVBQESA-N
MW212.72 g/mol
LogP3.58
Rot. Bonds4

About 6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine

6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine (PubChem CID 97358406) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine
PubChem CID97358406
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine
SMILESCC(C)C[C@H](C)Nc1ccc(Cl)nc1
InChIInChI=1S/C11H17ClN2/c1-8(2)6-9(3)14-10-4-5-11(12)13-7-10/h4-5,7-9,14H,6H2,1-3H3/t9-/m0/s1
InChIKeyRZGAOSHXYJFXSE-VIFPVBQESA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 115486493
4-N-(4-methylpentan-2-yl)-1-N-[4-(4-methylpentan-2-ylamino)phenyl]benzene-1,4-diamine
CID 10981440
3-chloro-4-fluoro-N-(4-methylpentan-2-yl)aniline
CID 43119238
N-(4-methylpentan-2-yl)quinoxalin-6-amine
CID 54863402
2-[1-[(6-chloro-3-pyridinyl)amino]ethyl]benzene-1,3-diol
CID 107711179
2-chloro-1-N,1-N-dimethyl-4-N-(4-methylpentan-2-yl)benzene-1,4-diamine
CID 63450957
3-chloro-N-(4-methylpentan-2-yl)aniline
CID 43111106
N-(6-chloro-3-pyridinyl)-4-(3-methylbutoxy)benzamide
CID 54787994
6-chloro-N-trimethylsilylpyridin-3-amine
CID 134860798
[(6-chloro-3-pyridinyl)amino]methanethiol
CID 88611899
N-(6-chloro-3-pyridinyl)propane-2-sulfonamide
CID 57157565
5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine
CID 105369165

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine?
The IUPAC name of 6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine (CID 97358406) is 6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine is CC(C)C[C@H](C)Nc1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine?
The InChIKey is RZGAOSHXYJFXSE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17ClN2/c1-8(2)6-9(3)14-10-4-5-11(12)13-7-10/h4-5,7-9,14H,6H2,1-3H3/t9-/m0/s1.
What are the key properties of 6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine?
6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine has a molecular weight of 212.72 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2S)-4-methylpentan-2-yl]pyridin-3-amine is sourced from PubChem (CID 97358406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).