(2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol

C18H30N2O — CID 139135197

IUPAC(2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol
SMILESCC(C)(C)/N=C/[C@H](NC(C)(C)C)[C@](C)(O)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-16(2,3)19-13-15(20-17(4,5)6)18(7,21)14-11-9-8-10-12-14/h8-13,15,20-21H,1-7H3/b19-13+/t15-,18+/m0/s1
InChIKeyYXQKSBVCVMHFSP-DMCUMKSNSA-N
MW290.45 g/mol
LogP3.52
Rot. Bonds4

About (2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol

(2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol (PubChem CID 139135197) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol.

Molecular Properties

Compound Name(2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol
PubChem CID139135197
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol
SMILESCC(C)(C)/N=C/[C@H](NC(C)(C)C)[C@](C)(O)c1ccccc1
InChIInChI=1S/C18H30N2O/c1-16(2,3)19-13-15(20-17(4,5)6)18(7,21)14-11-9-8-10-12-14/h8-13,15,20-21H,1-7H3/b19-13+/t15-,18+/m0/s1
InChIKeyYXQKSBVCVMHFSP-DMCUMKSNSA-N
XLogP3.52
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylamino)-3-tert-butylimino-1,1-diphenylpropan-1-ol
CID 12970498
(E,2R,3R)-2-phenylhex-4-ene-2,3-diol
CID 102188552
(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
CID 89263226
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
methyl (2R)-2-(1-hydroxy-1-phenylethyl)but-3-enoate
CID 134993343
(E,2S,3S)-3-methyl-2-phenylhex-4-en-2-ol
CID 10583846
2-phenyl-3-(propan-2-ylamino)butan-2-ol;hydrochloride
CID 117068774
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380
(2S,3S)-2,3-diphenylpent-4-en-2-ol
CID 11651629
3-methyl-2-phenylpentan-2-ol
CID 13024634
2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352
1-(benzylideneamino)-1-phenylethanol
CID 154107002

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol?
The IUPAC name of (2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol (CID 139135197) is (2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol.
What is the SMILES notation for (2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol?
The canonical SMILES for (2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol is CC(C)(C)/N=C/[C@H](NC(C)(C)C)[C@](C)(O)c1ccccc1.
What is the InChIKey of (2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol?
The InChIKey is YXQKSBVCVMHFSP-DMCUMKSNSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16(2,3)19-13-15(20-17(4,5)6)18(7,21)14-11-9-8-10-12-14/h8-13,15,20-21H,1-7H3/b19-13+/t15-,18+/m0/s1.
What are the key properties of (2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol?
(2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol has a molecular weight of 290.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(tert-butylamino)-4-tert-butylimino-2-phenylbutan-2-ol is sourced from PubChem (CID 139135197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).