N-butylpentanehydrazide

C9H20N2O — CID 22613544

IUPACN-butylpentanehydrazide
SMILESCCCCC(=O)N(N)CCCC
InChIInChI=1S/C9H20N2O/c1-3-5-7-9(12)11(10)8-6-4-2/h3-8,10H2,1-2H3
InChIKeyIERLPNFWKVEFGJ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.68
Rot. Bonds6

About N-butylpentanehydrazide

N-butylpentanehydrazide (PubChem CID 22613544) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-butylpentanehydrazide.

Molecular Properties

Compound NameN-butylpentanehydrazide
PubChem CID22613544
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-butylpentanehydrazide
SMILESCCCCC(=O)N(N)CCCC
InChIInChI=1S/C9H20N2O/c1-3-5-7-9(12)11(10)8-6-4-2/h3-8,10H2,1-2H3
InChIKeyIERLPNFWKVEFGJ-UHFFFAOYSA-N
XLogP1.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-butyl-3-(cyclopropen-1-yl)propanehydrazide
CID 175827850
N-propylbutanehydrazide
CID 165487733
N-amino-N-nitrosopentanamide
CID 172967677
N-butyl-N-ethylpentanamide
CID 4629847
1-N-dodecyl-4-N',4-N'-diethyl-4-N-propylbutanedihydrazide
CID 150394471
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
N-amino-N-hydroxydocosanamide
CID 87686885
N,N-di(undecyl)pentanamide
CID 532896
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N,N-bis(hydroxymethyl)pentanamide
CID 88793497

Frequently Asked Questions

What is the IUPAC name of N-butylpentanehydrazide?
The IUPAC name of N-butylpentanehydrazide (CID 22613544) is N-butylpentanehydrazide.
What is the SMILES notation for N-butylpentanehydrazide?
The canonical SMILES for N-butylpentanehydrazide is CCCCC(=O)N(N)CCCC.
What is the InChIKey of N-butylpentanehydrazide?
The InChIKey is IERLPNFWKVEFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-5-7-9(12)11(10)8-6-4-2/h3-8,10H2,1-2H3.
What are the key properties of N-butylpentanehydrazide?
N-butylpentanehydrazide has a molecular weight of 172.27 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylpentanehydrazide is sourced from PubChem (CID 22613544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).