4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide

C13H30N4O2 — CID 144767383

IUPAC4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide
SMILESCCCC(C)(N)CCC(=O)NNOCC(C)(C)CN
InChIInChI=1S/C13H30N4O2/c1-5-7-13(4,15)8-6-11(18)16-17-19-10-12(2,3)9-14/h17H,5-10,14-15H2,1-4H3,(H,16,18)
InChIKeyXUCKHIZJYRKOGO-UHFFFAOYSA-N
MW274.41 g/mol
LogP0.82
Rot. Bonds10

About 4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide

4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide (PubChem CID 144767383) has the molecular formula C13H30N4O2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide.

Molecular Properties

Compound Name4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide
PubChem CID144767383
Molecular FormulaC13H30N4O2
Molecular Weight274.41 g/mol
Exact Mass274.24
IUPAC Name4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide
SMILESCCCC(C)(N)CCC(=O)NNOCC(C)(C)CN
InChIInChI=1S/C13H30N4O2/c1-5-7-13(4,15)8-6-11(18)16-17-19-10-12(2,3)9-14/h17H,5-10,14-15H2,1-4H3,(H,16,18)
InChIKeyXUCKHIZJYRKOGO-UHFFFAOYSA-N
XLogP0.82
TPSA102.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N,N',4-trimethylheptanediamide
CID 90077858
2,2,4-trimethylheptane-1,4-diamine
CID 175307929
1,3-bis(2-aminopentan-2-yl)urea
CID 88745593
2,2-dimethyl-3-(methylaminooxy)propan-1-amine
CID 155039143
CID 162756197
CID 162756197
5-(3-amino-2,2-dimethylpropoxy)-4,4-dimethylpentanoic acid
CID 169158624
[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate
CID 4064
2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-methylpentanoic acid
CID 65291968
2-fluoro-2-methylpentanamide
CID 134346431
1,1,1-trifluoro-3-methylhexan-3-amine
CID 131227924
N-[3-[3-[3-(3-amino-2,2-dimethylpropoxy)propanoylamino]-2,2-dimethylpropoxy]-2,2-dimethylpropyl]hexadecanamide;ethane
CID 171529103
2,2-dimethylbutyl 3-fluoropropanoate
CID 140839243

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide?
The IUPAC name of 4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide (CID 144767383) is 4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide.
What is the SMILES notation for 4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide?
The canonical SMILES for 4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide is CCCC(C)(N)CCC(=O)NNOCC(C)(C)CN.
What is the InChIKey of 4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide?
The InChIKey is XUCKHIZJYRKOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O2/c1-5-7-13(4,15)8-6-11(18)16-17-19-10-12(2,3)9-14/h17H,5-10,14-15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide?
4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide has a molecular weight of 274.41 g/mol, XLogP of 0.82, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-(3-amino-2,2-dimethylpropoxy)-4-methylheptanehydrazide is sourced from PubChem (CID 144767383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).