5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide

C12H27N3O — CID 63585409

IUPAC5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide
SMILESCC(N(C)CCCCC(=O)NN)C(C)(C)C
InChIInChI=1S/C12H27N3O/c1-10(12(2,3)4)15(5)9-7-6-8-11(16)14-13/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyAKQHHSKFRKHHKR-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.51
Rot. Bonds6

About 5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide

5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide (PubChem CID 63585409) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide.

Molecular Properties

Compound Name5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide
PubChem CID63585409
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide
SMILESCC(N(C)CCCCC(=O)NN)C(C)(C)C
InChIInChI=1S/C12H27N3O/c1-10(12(2,3)4)15(5)9-7-6-8-11(16)14-13/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyAKQHHSKFRKHHKR-UHFFFAOYSA-N
XLogP1.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3,3-dimethylbutan-2-yl(methyl)amino]-N'-hydroxypentanimidamide
CID 76912512
N-carbamoyl-3-[3,3-dimethylbutan-2-yl(methyl)amino]propanamide
CID 43061704
N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide
CID 55006991
5-[butyl(methyl)amino]pentanehydrazide
CID 63570432
5-[pentyl(propan-2-yl)amino]pentanehydrazide
CID 55214628
4-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
CID 63583890
hexanedihydrazide;pentanedihydrazide
CID 157195533
2-[(5-hydrazinyl-5-oxopentyl)-methylamino]-N,N-dimethylacetamide
CID 63572911
4-[ethyl(propan-2-yl)amino]butanehydrazide
CID 63573828
5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanehydrazide
CID 63573579
6-[2-methoxyethyl(propan-2-yl)amino]hexanehydrazide
CID 82965230
6-[3-(diethylamino)propyl-ethylamino]hexanehydrazide
CID 102998195

Frequently Asked Questions

What is the IUPAC name of 5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide?
The IUPAC name of 5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide (CID 63585409) is 5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide.
What is the SMILES notation for 5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide?
The canonical SMILES for 5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide is CC(N(C)CCCCC(=O)NN)C(C)(C)C.
What is the InChIKey of 5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide?
The InChIKey is AKQHHSKFRKHHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-10(12(2,3)4)15(5)9-7-6-8-11(16)14-13/h10H,6-9,13H2,1-5H3,(H,14,16).
What are the key properties of 5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide?
5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide has a molecular weight of 229.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-dimethylbutan-2-yl(methyl)amino]pentanehydrazide is sourced from PubChem (CID 63585409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).