(2S)-1-(3-methylpentan-3-ylamino)propan-2-ol

C9H21NO — CID 106329053

IUPAC(2S)-1-(3-methylpentan-3-ylamino)propan-2-ol
SMILESCCC(C)(CC)NC[C@H](C)O
InChIInChI=1S/C9H21NO/c1-5-9(4,6-2)10-7-8(3)11/h8,10-11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyDKACZQBRZYMLLH-QMMMGPOBSA-N
MW159.27 g/mol
LogP1.54
Rot. Bonds5

About (2S)-1-(3-methylpentan-3-ylamino)propan-2-ol

(2S)-1-(3-methylpentan-3-ylamino)propan-2-ol (PubChem CID 106329053) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2S)-1-(3-methylpentan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3-methylpentan-3-ylamino)propan-2-ol
PubChem CID106329053
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2S)-1-(3-methylpentan-3-ylamino)propan-2-ol
SMILESCCC(C)(CC)NC[C@H](C)O
InChIInChI=1S/C9H21NO/c1-5-9(4,6-2)10-7-8(3)11/h8,10-11H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyDKACZQBRZYMLLH-QMMMGPOBSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylpentan-3-ylamino)butan-2-ol
CID 103766620
2-(2-hydroxybutylamino)-2-methylbutan-1-ol
CID 64548924
2-methyl-N-(3-methylpentan-3-yl)pentan-1-amine
CID 103922999
1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol
CID 174707457
1-(tert-butylamino)propan-2-ol;formic acid
CID 158906125
2-(2-hydroxypropylamino)-2-methylpropanoic acid
CID 19816225
2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol
CID 107852675
3-(3-hydroxybutylamino)-3-methylpentan-1-ol
CID 106175110
1-(3-methylhexan-3-ylamino)-3-(2-methylpentan-2-ylamino)propan-2-ol
CID 89292350
2,5,5-trimethyl-N-(3-methylpentan-3-yl)heptan-1-amine
CID 91457682
3-(2-methoxypropylamino)-3-methylpentan-1-ol
CID 106175766
2-methyl-2-(2-methylbutylamino)propane-1,3-diol
CID 75525332

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methylpentan-3-ylamino)propan-2-ol?
The IUPAC name of (2S)-1-(3-methylpentan-3-ylamino)propan-2-ol (CID 106329053) is (2S)-1-(3-methylpentan-3-ylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(3-methylpentan-3-ylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(3-methylpentan-3-ylamino)propan-2-ol is CCC(C)(CC)NC[C@H](C)O.
What is the InChIKey of (2S)-1-(3-methylpentan-3-ylamino)propan-2-ol?
The InChIKey is DKACZQBRZYMLLH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-9(4,6-2)10-7-8(3)11/h8,10-11H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-1-(3-methylpentan-3-ylamino)propan-2-ol?
(2S)-1-(3-methylpentan-3-ylamino)propan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-methylpentan-3-ylamino)propan-2-ol is sourced from PubChem (CID 106329053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).