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

C9H21NO — CID 93082853

IUPAC(2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol
SMILESCC(C)C[C@@H](C)N[C@H](C)CO
InChIInChI=1S/C9H21NO/c1-7(2)5-8(3)10-9(4)6-11/h7-11H,5-6H2,1-4H3/t8-,9-/m1/s1
InChIKeyIAWBNANWEYKYJG-RKDXNWHRSA-N
MW159.27 g/mol
LogP1.39
Rot. Bonds5

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

(2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol (PubChem CID 93082853) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol
PubChem CID93082853
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol
SMILESCC(C)C[C@@H](C)N[C@H](C)CO
InChIInChI=1S/C9H21NO/c1-7(2)5-8(3)10-9(4)6-11/h7-11H,5-6H2,1-4H3/t8-,9-/m1/s1
InChIKeyIAWBNANWEYKYJG-RKDXNWHRSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol with MolForge

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Related Compounds

(4R)-4-[[(2S)-4-methylpentan-2-yl]amino]pentan-1-ol
CID 97051627
(2R)-2-(4-methylpentan-2-ylamino)butan-1-ol
CID 103922364
(4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol
CID 97051624
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
CID 28723565
(2R)-2-[[(2S)-3-methylbutan-2-yl]amino]propan-1-ol
CID 93082740
(2S)-2-(1-methoxypropan-2-ylamino)propan-1-ol
CID 103789156
3-(4-methylpentan-2-ylamino)butanenitrile
CID 60914493
2-methyl-3-(4-methylpentan-2-ylamino)propan-1-ol
CID 65032247
(2S)-2-[2-[(2S)-1-hydroxypropan-2-yl]hydrazinyl]propan-1-ol
CID 92556899
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol (CID 93082853) is (2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol is CC(C)C[C@@H](C)N[C@H](C)CO.
What is the InChIKey of (2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol?
The InChIKey is IAWBNANWEYKYJG-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)5-8(3)10-9(4)6-11/h7-11H,5-6H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol?
(2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol is sourced from PubChem (CID 93082853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).