(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol

C10H23NO — CID 28723565

IUPAC(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
SMILESCC[C@@H](CO)N[C@H](C)CC(C)C
InChIInChI=1S/C10H23NO/c1-5-10(7-12)11-9(4)6-8(2)3/h8-12H,5-7H2,1-4H3/t9-,10+/m1/s1
InChIKeyXMISHVKDWWXSHD-ZJUUUORDSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds6

About (2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol

(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol (PubChem CID 28723565) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
PubChem CID28723565
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
SMILESCC[C@@H](CO)N[C@H](C)CC(C)C
InChIInChI=1S/C10H23NO/c1-5-10(7-12)11-9(4)6-8(2)3/h8-12H,5-7H2,1-4H3/t9-,10+/m1/s1
InChIKeyXMISHVKDWWXSHD-ZJUUUORDSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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)-2-(4-methylpentan-2-ylamino)butan-1-ol
CID 103922364
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150
(2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol
CID 93082853
4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
CID 103949543
2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
CID 115705335
4-methyl-2-(5-methylheptan-3-ylamino)pentan-1-ol
CID 61245372
(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
CID 28724696
N-(4-methylpentan-2-yl)heptan-4-amine
CID 43371859
2-(1-cyclopropylpropan-2-ylamino)butan-1-ol
CID 115705322
N-butan-2-yl-2,6-dimethylheptan-4-amine
CID 43110369
(2S)-2-[[(2S,3R)-3-methylpentan-2-yl]amino]butan-1-ol
CID 28724744
(2R)-2-[[(3R)-2-methylpentan-3-yl]amino]butan-1-ol
CID 93285453

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol?
The IUPAC name of (2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol (CID 28723565) is (2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol?
The canonical SMILES for (2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol is CC[C@@H](CO)N[C@H](C)CC(C)C.
What is the InChIKey of (2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol?
The InChIKey is XMISHVKDWWXSHD-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-10(7-12)11-9(4)6-8(2)3/h8-12H,5-7H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of (2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol?
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol is sourced from PubChem (CID 28723565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).