(2S)-1-(tert-butylamino)-4-methylpentan-2-ol

C10H23NO — CID 2056246

IUPAC(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
SMILESCC(C)C[C@H](O)CNC(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(2)6-9(12)7-11-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyGGMCHAHRXCCZSS-VIFPVBQESA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds4

About (2S)-1-(tert-butylamino)-4-methylpentan-2-ol

(2S)-1-(tert-butylamino)-4-methylpentan-2-ol (PubChem CID 2056246) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2S)-1-(tert-butylamino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
PubChem CID2056246
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
SMILESCC(C)C[C@H](O)CNC(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(2)6-9(12)7-11-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyGGMCHAHRXCCZSS-VIFPVBQESA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
1-amino-3-(tert-butylamino)propan-2-ol
CID 3016525
N-tert-butyl-2-fluoro-4-methylpentan-1-amine
CID 107446526
N,2-ditert-butyl-4-methylpentan-1-amine
CID 83138454
1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride
CID 115607724
1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol
CID 110181624
1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol
CID 110181812
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 13017286
2-(ethylamino)-N-(2-hydroxy-4-methylpentyl)-2-methylpropanamide
CID 107152947
1-(tert-butylamino)-3,3-dimethylbutan-2-ol
CID 59827324
tert-butyl-[3-(tert-butylamino)-2-hydroxypropyl]azanium chloride
CID 44723542

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(tert-butylamino)-4-methylpentan-2-ol?
The IUPAC name of (2S)-1-(tert-butylamino)-4-methylpentan-2-ol (CID 2056246) is (2S)-1-(tert-butylamino)-4-methylpentan-2-ol.
What is the SMILES notation for (2S)-1-(tert-butylamino)-4-methylpentan-2-ol?
The canonical SMILES for (2S)-1-(tert-butylamino)-4-methylpentan-2-ol is CC(C)C[C@H](O)CNC(C)(C)C.
What is the InChIKey of (2S)-1-(tert-butylamino)-4-methylpentan-2-ol?
The InChIKey is GGMCHAHRXCCZSS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23NO/c1-8(2)6-9(12)7-11-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3/t9-/m0/s1.
What are the key properties of (2S)-1-(tert-butylamino)-4-methylpentan-2-ol?
(2S)-1-(tert-butylamino)-4-methylpentan-2-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(tert-butylamino)-4-methylpentan-2-ol is sourced from PubChem (CID 2056246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).