3-(aminomethyl)pentanehydrazide

C6H15N3O — CID 81079841

IUPAC3-(aminomethyl)pentanehydrazide
SMILESCCC(CN)CC(=O)NN
InChIInChI=1S/C6H15N3O/c1-2-5(4-7)3-6(10)9-8/h5H,2-4,7-8H2,1H3,(H,9,10)
InChIKeyORXZZQSNWZOMPR-UHFFFAOYSA-N
MW145.21 g/mol
LogP-0.65
Rot. Bonds4

About 3-(aminomethyl)pentanehydrazide

3-(aminomethyl)pentanehydrazide (PubChem CID 81079841) has the molecular formula C6H15N3O and a molecular weight of 145.21 g/mol. Its IUPAC name is 3-(aminomethyl)pentanehydrazide.

Molecular Properties

Compound Name3-(aminomethyl)pentanehydrazide
PubChem CID81079841
Molecular FormulaC6H15N3O
Molecular Weight145.21 g/mol
Exact Mass145.12
IUPAC Name3-(aminomethyl)pentanehydrazide
SMILESCCC(CN)CC(=O)NN
InChIInChI=1S/C6H15N3O/c1-2-5(4-7)3-6(10)9-8/h5H,2-4,7-8H2,1H3,(H,9,10)
InChIKeyORXZZQSNWZOMPR-UHFFFAOYSA-N
XLogP-0.65
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
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

3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-butylpentanamide
CID 81071551
methyl 3-(aminomethyl)pentanoate
CID 66099134
3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 81079509
3-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide
CID 81071031
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
CID 81080103
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pentanamide
CID 104828170
3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080106
3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide
CID 103461469
3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818
3-(aminomethyl)-N-(2-ethoxyethyl)pentanamide
CID 81071498

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)pentanehydrazide?
The IUPAC name of 3-(aminomethyl)pentanehydrazide (CID 81079841) is 3-(aminomethyl)pentanehydrazide.
What is the SMILES notation for 3-(aminomethyl)pentanehydrazide?
The canonical SMILES for 3-(aminomethyl)pentanehydrazide is CCC(CN)CC(=O)NN.
What is the InChIKey of 3-(aminomethyl)pentanehydrazide?
The InChIKey is ORXZZQSNWZOMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O/c1-2-5(4-7)3-6(10)9-8/h5H,2-4,7-8H2,1H3,(H,9,10).
What are the key properties of 3-(aminomethyl)pentanehydrazide?
3-(aminomethyl)pentanehydrazide has a molecular weight of 145.21 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)pentanehydrazide is sourced from PubChem (CID 81079841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).