(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol

C9H21NO — CID 103935088

IUPAC(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
SMILESC[C@H](O)CN(C)CC(C)(C)C
InChIInChI=1S/C9H21NO/c1-8(11)6-10(5)7-9(2,3)4/h8,11H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyBIWKFSFTIVBGNS-QMMMGPOBSA-N
MW159.27 g/mol
LogP1.35
Rot. Bonds3

About (2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol

(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol (PubChem CID 103935088) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
PubChem CID103935088
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
SMILESC[C@H](O)CN(C)CC(C)(C)C
InChIInChI=1S/C9H21NO/c1-8(11)6-10(5)7-9(2,3)4/h8,11H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyBIWKFSFTIVBGNS-QMMMGPOBSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol
CID 58066210
3-[2,2-dimethylpropyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900832
1-[2,2-dimethylpropyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 62922207
2-amino-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 64828182
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
1-cyclopentyl-2-[2,2-dimethylpropyl(methyl)amino]ethanol
CID 104752733
1-[2,2-dimethylpropyl(methyl)amino]ethanol
CID 154651537
1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol
CID 62337553
N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62462801
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol
CID 62337164
3-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)propan-1-ol
CID 64827973

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol (CID 103935088) is (2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol is C[C@H](O)CN(C)CC(C)(C)C.
What is the InChIKey of (2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol?
The InChIKey is BIWKFSFTIVBGNS-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(11)6-10(5)7-9(2,3)4/h8,11H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol?
(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 103935088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).