(2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol

C19H31N3O2 — CID 2818120

IUPAC(2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)[C@H](CO)/N=C/c1cccc(/C=N/[C@H](CO)C(C)(C)C)n1
InChIInChI=1S/C19H31N3O2/c1-18(2,3)16(12-23)20-10-14-8-7-9-15(22-14)11-21-17(13-24)19(4,5)6/h7-11,16-17,23-24H,12-13H2,1-6H3/b20-10+,21-11+/t16-,17+
InChIKeyGDJLDNNIMXZFGB-OUUWWRCKSA-N
MW333.48 g/mol
LogP2.73
Rot. Bonds6

About (2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol

(2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol (PubChem CID 2818120) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol
PubChem CID2818120
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)[C@H](CO)/N=C/c1cccc(/C=N/[C@H](CO)C(C)(C)C)n1
InChIInChI=1S/C19H31N3O2/c1-18(2,3)16(12-23)20-10-14-8-7-9-15(22-14)11-21-17(13-24)19(4,5)6/h7-11,16-17,23-24H,12-13H2,1-6H3/b20-10+,21-11+/t16-,17+
InChIKeyGDJLDNNIMXZFGB-OUUWWRCKSA-N
XLogP2.73
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol?
The IUPAC name of (2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol (CID 2818120) is (2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for (2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for (2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol is CC(C)(C)[C@H](CO)/N=C/c1cccc(/C=N/[C@H](CO)C(C)(C)C)n1.
What is the InChIKey of (2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol?
The InChIKey is GDJLDNNIMXZFGB-OUUWWRCKSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-18(2,3)16(12-23)20-10-14-8-7-9-15(22-14)11-21-17(13-24)19(4,5)6/h7-11,16-17,23-24H,12-13H2,1-6H3/b20-10+,21-11+/t16-,17+.
What are the key properties of (2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol?
(2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol has a molecular weight of 333.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]iminomethyl]-2-pyridinyl]methylideneamino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 2818120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).