2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol

C9H22N2O2 — CID 163829282

IUPAC2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol
SMILESCC(C)C(NCC(C)(C)N)C(O)O
InChIInChI=1S/C9H22N2O2/c1-6(2)7(8(12)13)11-5-9(3,4)10/h6-8,11-13H,5,10H2,1-4H3
InChIKeyOCGPSLJJIGXBFY-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.35
Rot. Bonds5

About 2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol

2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol (PubChem CID 163829282) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol
PubChem CID163829282
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol
SMILESCC(C)C(NCC(C)(C)N)C(O)O
InChIInChI=1S/C9H22N2O2/c1-6(2)7(8(12)13)11-5-9(3,4)10/h6-8,11-13H,5,10H2,1-4H3
InChIKeyOCGPSLJJIGXBFY-UHFFFAOYSA-N
XLogP-0.35
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-2-methylpropyl)amino]-3-hydroxybutanoic acid
CID 90020733
N-[3-[(2-amino-2-methylpropyl)amino]butan-2-ylidene]hydroxylamine
CID 6850066
3-methyl-2-(methylamino)butane-1,1-diol
CID 22981817
1-[(3-amino-3-methylbutyl)amino]ethanol
CID 174756384
2-amino-2-methylpropane-1,3-diol;propan-2-ol
CID 18519501
1-(2-amino-2-methylpropyl)-3-propan-2-ylurea
CID 115303393
tert-butyl (3S)-2-hydroxy-4-methyl-3-(methylamino)pentanoate
CID 87855920
ethane;tetrakis(propan-2-ol)
CID 174681393
N-(2-amino-2-methylpropyl)-2-(dimethylamino)-3-methylbutanamide;dihydrochloride
CID 119627492
2-amino-2-methyl-N-(3-methylbutan-2-yl)propanamide
CID 61264796
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 79249834
5-amino-5-methylhexan-2-ol
CID 13107683

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol?
The IUPAC name of 2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol (CID 163829282) is 2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol.
What is the SMILES notation for 2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol?
The canonical SMILES for 2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol is CC(C)C(NCC(C)(C)N)C(O)O.
What is the InChIKey of 2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol?
The InChIKey is OCGPSLJJIGXBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-6(2)7(8(12)13)11-5-9(3,4)10/h6-8,11-13H,5,10H2,1-4H3.
What are the key properties of 2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol?
2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol has a molecular weight of 190.29 g/mol, XLogP of -0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropyl)amino]-3-methylbutane-1,1-diol is sourced from PubChem (CID 163829282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).