N'-butyl-2-methylhept-2-enehydrazide

C12H24N2O — CID 141470562

IUPACN'-butyl-2-methylhept-2-enehydrazide
SMILESCCCCC=C(C)C(=O)NNCCCC
InChIInChI=1S/C12H24N2O/c1-4-6-8-9-11(3)12(15)14-13-10-7-5-2/h9,13H,4-8,10H2,1-3H3,(H,14,15)
InChIKeyQKTYKCDSKJZGQX-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.54
Rot. Bonds8

About N'-butyl-2-methylhept-2-enehydrazide

N'-butyl-2-methylhept-2-enehydrazide (PubChem CID 141470562) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N'-butyl-2-methylhept-2-enehydrazide.

Molecular Properties

Compound NameN'-butyl-2-methylhept-2-enehydrazide
PubChem CID141470562
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN'-butyl-2-methylhept-2-enehydrazide
SMILESCCCCC=C(C)C(=O)NNCCCC
InChIInChI=1S/C12H24N2O/c1-4-6-8-9-11(3)12(15)14-13-10-7-5-2/h9,13H,4-8,10H2,1-3H3,(H,14,15)
InChIKeyQKTYKCDSKJZGQX-UHFFFAOYSA-N
XLogP2.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-methyl-N'-(2-methylpropyl)hept-2-enehydrazide
CID 141470563
(E)-N-butyl-2-methyldec-2-enamide
CID 140554032
methyl (E)-2-methylhept-2-enoate
CID 13122847
N',N',2-trimethylhept-2-enehydrazide
CID 151463961
N,2-dimethylundec-2-enamide
CID 4562078
(E)-2,2,4-trimethylnon-4-en-3-one
CID 24828917
methylamino 2-methylhept-2-enoate
CID 174825179
(E)-N-ethyl-2-methylnon-2-enamide
CID 87136870
CID 177343190
CID 177343190
methyl 2-methyloct-2-enoate
CID 71403822
phosphanyl 2-methylhept-2-enoate
CID 174654525
2-methylhept-2-enamide;hydrate
CID 172812574

Frequently Asked Questions

What is the IUPAC name of N'-butyl-2-methylhept-2-enehydrazide?
The IUPAC name of N'-butyl-2-methylhept-2-enehydrazide (CID 141470562) is N'-butyl-2-methylhept-2-enehydrazide.
What is the SMILES notation for N'-butyl-2-methylhept-2-enehydrazide?
The canonical SMILES for N'-butyl-2-methylhept-2-enehydrazide is CCCCC=C(C)C(=O)NNCCCC.
What is the InChIKey of N'-butyl-2-methylhept-2-enehydrazide?
The InChIKey is QKTYKCDSKJZGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-6-8-9-11(3)12(15)14-13-10-7-5-2/h9,13H,4-8,10H2,1-3H3,(H,14,15).
What are the key properties of N'-butyl-2-methylhept-2-enehydrazide?
N'-butyl-2-methylhept-2-enehydrazide has a molecular weight of 212.34 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-2-methylhept-2-enehydrazide is sourced from PubChem (CID 141470562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).