2-methyl-N-pentylprop-2-enehydrazide

C9H18N2O — CID 87197020

IUPAC2-methyl-N-pentylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(N)CCCCC
InChIInChI=1S/C9H18N2O/c1-4-5-6-7-11(10)9(12)8(2)3/h2,4-7,10H2,1,3H3
InChIKeyUOAMNZNVSKBHHB-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.46
Rot. Bonds5

About 2-methyl-N-pentylprop-2-enehydrazide

2-methyl-N-pentylprop-2-enehydrazide (PubChem CID 87197020) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methyl-N-pentylprop-2-enehydrazide.

Molecular Properties

Compound Name2-methyl-N-pentylprop-2-enehydrazide
PubChem CID87197020
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methyl-N-pentylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(N)CCCCC
InChIInChI=1S/C9H18N2O/c1-4-5-6-7-11(10)9(12)8(2)3/h2,4-7,10H2,1,3H3
InChIKeyUOAMNZNVSKBHHB-UHFFFAOYSA-N
XLogP1.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Propenamide, 2-methyl-N-1-piperidinyl-
CID 11557354
N-ethyl-N',N',2-trimethylprop-2-enehydrazide
CID 19026482
N',N',2-trimethyl-N-propylprop-2-enehydrazide
CID 19076217
N',N'-dibutyl-2-methylprop-2-enehydrazide
CID 19386588
N',N'-diethyl-2-methyl-N-propylprop-2-enehydrazide
CID 21924731
N-butyl-N',2-dimethylprop-2-enehydrazide
CID 22336369
N-butyl-2-methylprop-2-enehydrazide
CID 22336374
N-(3-methylbut-2-enyl)pentanehydrazide
CID 54492486
N,N',N'-triethyl-2-methylprop-2-enehydrazide
CID 87135158
2-methyl-N-prop-2-enylprop-2-enehydrazide
CID 87195486
N-(5-aminopentyl)-2-methylprop-2-enehydrazide
CID 87197018
azane;2-methyl-N-pentylprop-2-enehydrazide
CID 87197019

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentylprop-2-enehydrazide?
The IUPAC name of 2-methyl-N-pentylprop-2-enehydrazide (CID 87197020) is 2-methyl-N-pentylprop-2-enehydrazide.
What is the SMILES notation for 2-methyl-N-pentylprop-2-enehydrazide?
The canonical SMILES for 2-methyl-N-pentylprop-2-enehydrazide is C=C(C)C(=O)N(N)CCCCC.
What is the InChIKey of 2-methyl-N-pentylprop-2-enehydrazide?
The InChIKey is UOAMNZNVSKBHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-6-7-11(10)9(12)8(2)3/h2,4-7,10H2,1,3H3.
What are the key properties of 2-methyl-N-pentylprop-2-enehydrazide?
2-methyl-N-pentylprop-2-enehydrazide has a molecular weight of 170.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentylprop-2-enehydrazide is sourced from PubChem (CID 87197020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).