3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide

C11H25N3O2 — CID 79630977

IUPAC3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide
SMILESCC(C)N(CCCO)CC(C)(C)C(=O)NN
InChIInChI=1S/C11H25N3O2/c1-9(2)14(6-5-7-15)8-11(3,4)10(16)13-12/h9,15H,5-8,12H2,1-4H3,(H,13,16)
InChIKeyAZSXYUNWQBEUBX-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.10
Rot. Bonds7

About 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide

3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide (PubChem CID 79630977) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide
PubChem CID79630977
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide
SMILESCC(C)N(CCCO)CC(C)(C)C(=O)NN
InChIInChI=1S/C11H25N3O2/c1-9(2)14(6-5-7-15)8-11(3,4)10(16)13-12/h9,15H,5-8,12H2,1-4H3,(H,13,16)
InChIKeyAZSXYUNWQBEUBX-UHFFFAOYSA-N
XLogP0.10
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide
CID 62016764
3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide
CID 79626659
3-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpropanehydrazide
CID 79630779
3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol
CID 62623197
2,2-dimethyl-3-[pentyl(propan-2-yl)amino]propanoic acid
CID 62271230
(2S)-2-amino-N-(3-hydroxypropyl)-3,3-dimethyl-N-propan-2-ylbutanamide
CID 61158175
4-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylbutanethioamide
CID 65248852
3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol
CID 65247313
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]thiophene-2-carbohydrazide
CID 63578253
1-(3-hydroxypropyl)-1-propan-2-ylurea
CID 61040269
3,3-dimethyl-4-[propan-2-yl(propyl)amino]butan-2-one
CID 66452724

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide (CID 79630977) is 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide is CC(C)N(CCCO)CC(C)(C)C(=O)NN.
What is the InChIKey of 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide?
The InChIKey is AZSXYUNWQBEUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-9(2)14(6-5-7-15)8-11(3,4)10(16)13-12/h9,15H,5-8,12H2,1-4H3,(H,13,16).
What are the key properties of 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide?
3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide has a molecular weight of 231.34 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79630977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).