5-[pentyl(propan-2-yl)amino]pentanehydrazide

C13H29N3O — CID 55214628

IUPAC5-[pentyl(propan-2-yl)amino]pentanehydrazide
SMILESCCCCCN(CCCCC(=O)NN)C(C)C
InChIInChI=1S/C13H29N3O/c1-4-5-7-10-16(12(2)3)11-8-6-9-13(17)15-14/h12H,4-11,14H2,1-3H3,(H,15,17)
InChIKeyYJOSYJNRLIAUMU-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.05
Rot. Bonds10

About 5-[pentyl(propan-2-yl)amino]pentanehydrazide

5-[pentyl(propan-2-yl)amino]pentanehydrazide (PubChem CID 55214628) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-[pentyl(propan-2-yl)amino]pentanehydrazide.

Molecular Properties

Compound Name5-[pentyl(propan-2-yl)amino]pentanehydrazide
PubChem CID55214628
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name5-[pentyl(propan-2-yl)amino]pentanehydrazide
SMILESCCCCCN(CCCCC(=O)NN)C(C)C
InChIInChI=1S/C13H29N3O/c1-4-5-7-10-16(12(2)3)11-8-6-9-13(17)15-14/h12H,4-11,14H2,1-3H3,(H,15,17)
InChIKeyYJOSYJNRLIAUMU-UHFFFAOYSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[ethyl(propan-2-yl)amino]butanehydrazide
CID 63573828
6-[2-methoxyethyl(propan-2-yl)amino]hexanehydrazide
CID 82965230
5-[butyl(methyl)amino]pentanehydrazide
CID 63570432
2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide
CID 63583676
3-[butan-2-yl(butyl)amino]propanehydrazide
CID 63577909
4-[octyl(propan-2-yl)amino]butanoic acid
CID 60833622
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
(E)-octadec-9-enehydrazide
CID 6281873
11-hydroxyoctadecanehydrazide;hydrochloride
CID 159475941
methyl 2-amino-4-[pentyl(propan-2-yl)amino]butanoate
CID 63055182
1-[pentyl(propan-2-yl)amino]pentan-2-one
CID 62043113
nonadeca-8,12-dienehydrazide
CID 150104072

Frequently Asked Questions

What is the IUPAC name of 5-[pentyl(propan-2-yl)amino]pentanehydrazide?
The IUPAC name of 5-[pentyl(propan-2-yl)amino]pentanehydrazide (CID 55214628) is 5-[pentyl(propan-2-yl)amino]pentanehydrazide.
What is the SMILES notation for 5-[pentyl(propan-2-yl)amino]pentanehydrazide?
The canonical SMILES for 5-[pentyl(propan-2-yl)amino]pentanehydrazide is CCCCCN(CCCCC(=O)NN)C(C)C.
What is the InChIKey of 5-[pentyl(propan-2-yl)amino]pentanehydrazide?
The InChIKey is YJOSYJNRLIAUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-5-7-10-16(12(2)3)11-8-6-9-13(17)15-14/h12H,4-11,14H2,1-3H3,(H,15,17).
What are the key properties of 5-[pentyl(propan-2-yl)amino]pentanehydrazide?
5-[pentyl(propan-2-yl)amino]pentanehydrazide has a molecular weight of 243.39 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[pentyl(propan-2-yl)amino]pentanehydrazide is sourced from PubChem (CID 55214628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).