2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide

C12H25N3O — CID 79630412

IUPAC2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide
SMILESCC1CCCN(CC(C)(C)C(=O)NN)CC1
InChIInChI=1S/C12H25N3O/c1-10-5-4-7-15(8-6-10)9-12(2,3)11(16)14-13/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyIFUUHPXLSBUJJY-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.12
Rot. Bonds3

About 2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide

2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide (PubChem CID 79630412) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide
PubChem CID79630412
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide
SMILESCC1CCCN(CC(C)(C)C(=O)NN)CC1
InChIInChI=1S/C12H25N3O/c1-10-5-4-7-15(8-6-10)9-12(2,3)11(16)14-13/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyIFUUHPXLSBUJJY-UHFFFAOYSA-N
XLogP1.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide
CID 79631643
3-(azocan-1-yl)-2,2-dimethylpropanehydrazide
CID 79627677
1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)piperidine-3-carboxamide
CID 79628715
1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-N-methylpiperidine-4-carboxamide
CID 79631814
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide
CID 79631258
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
CID 79631732
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide
CID 79628344
3-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethylpropanehydrazide
CID 79628363
3,3-dimethyl-4-(4-methylazepan-1-yl)butan-2-ol
CID 66453480
N-[1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)pyrrolidin-3-yl]acetamide
CID 113402653
4-(4-methylazepan-1-yl)butanehydrazide
CID 63627733

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide (CID 79630412) is 2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide is CC1CCCN(CC(C)(C)C(=O)NN)CC1.
What is the InChIKey of 2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide?
The InChIKey is IFUUHPXLSBUJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10-5-4-7-15(8-6-10)9-12(2,3)11(16)14-13/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide?
2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide has a molecular weight of 227.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylazepan-1-yl)propanehydrazide is sourced from PubChem (CID 79630412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).