4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide

C13H28N4O — CID 105418482

IUPAC4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide
SMILESCC(CCC(=O)NN)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H28N4O/c1-11(6-7-12(18)15-14)17(4)10-13(16(2)3)8-5-9-13/h11H,5-10,14H2,1-4H3,(H,15,18)
InChIKeyWFVYRMYWQBJJRM-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.56
Rot. Bonds7

About 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide (PubChem CID 105418482) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide
PubChem CID105418482
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide
SMILESCC(CCC(=O)NN)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C13H28N4O/c1-11(6-7-12(18)15-14)17(4)10-13(16(2)3)8-5-9-13/h11H,5-10,14H2,1-4H3,(H,15,18)
InChIKeyWFVYRMYWQBJJRM-UHFFFAOYSA-N
XLogP0.56
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.56
H-Bond Donors ≤ 52
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

2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404
1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine
CID 105418002
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 63585709
2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid
CID 105416899
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 105416931
4-[cyclohexylmethyl(methyl)amino]pentanehydrazide
CID 63577696
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide
CID 63574231
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 105418216
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
(2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide
CID 105417719
4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide
CID 105414000
4-[(4-bromophenyl)methyl-methylamino]pentanehydrazide
CID 63579697

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide (CID 105418482) is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide is CC(CCC(=O)NN)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide?
The InChIKey is WFVYRMYWQBJJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-11(6-7-12(18)15-14)17(4)10-13(16(2)3)8-5-9-13/h11H,5-10,14H2,1-4H3,(H,15,18).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide?
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide has a molecular weight of 256.39 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide is sourced from PubChem (CID 105418482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).