2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide

C14H29N3O — CID 79631643

IUPAC2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide
SMILESCC(C)C1CCCN(CC(C)(C)C(=O)NN)CC1
InChIInChI=1S/C14H29N3O/c1-11(2)12-6-5-8-17(9-7-12)10-14(3,4)13(18)16-15/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyZWVZDJYTDDOQIC-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.76
Rot. Bonds4

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

2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide (PubChem CID 79631643) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide
PubChem CID79631643
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide
SMILESCC(C)C1CCCN(CC(C)(C)C(=O)NN)CC1
InChIInChI=1S/C14H29N3O/c1-11(2)12-6-5-8-17(9-7-12)10-14(3,4)13(18)16-15/h11-12H,5-10,15H2,1-4H3,(H,16,18)
InChIKeyZWVZDJYTDDOQIC-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.76
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-methylazepan-1-yl)propanehydrazide
CID 79630412
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
N-[1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)pyrrolidin-3-yl]acetamide
CID 113402653
3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine
CID 79814334
3-(4-acetylpiperazin-1-yl)-2,2-dimethylpropanehydrazide
CID 79628344
3-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethylpropanehydrazide
CID 79628363
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
CID 79631732
hydrazinyl 3-(4-propan-2-ylazepan-1-yl)propanoate
CID 66339331
3-(3,3-dimethylazetidin-1-yl)-2,2-dimethylpropanehydrazide
CID 130913539

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide (CID 79631643) is 2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide is CC(C)C1CCCN(CC(C)(C)C(=O)NN)CC1.
What is the InChIKey of 2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide?
The InChIKey is ZWVZDJYTDDOQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)12-6-5-8-17(9-7-12)10-14(3,4)13(18)16-15/h11-12H,5-10,15H2,1-4H3,(H,16,18).
What are the key properties of 2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide?
2,2-dimethyl-3-(4-propan-2-ylazepan-1-yl)propanehydrazide has a molecular weight of 255.41 g/mol, XLogP of 1.76, 4 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-propan-2-ylazepan-1-yl)propanehydrazide is sourced from PubChem (CID 79631643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).