N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide

C13H26N2O — CID 87504496

IUPACN',N'-dibutyl-N,2-dimethylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(C)N(CCCC)CCCC
InChIInChI=1S/C13H26N2O/c1-6-8-10-15(11-9-7-2)14(5)13(16)12(3)4/h3,6-11H2,1-2,4-5H3
InChIKeyRRGICMXDFFBWFQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.84
Rot. Bonds8

About N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide

N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide (PubChem CID 87504496) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide.

Molecular Properties

Compound NameN',N'-dibutyl-N,2-dimethylprop-2-enehydrazide
PubChem CID87504496
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN',N'-dibutyl-N,2-dimethylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(C)N(CCCC)CCCC
InChIInChI=1S/C13H26N2O/c1-6-8-10-15(11-9-7-2)14(5)13(16)12(3)4/h3,6-11H2,1-2,4-5H3
InChIKeyRRGICMXDFFBWFQ-UHFFFAOYSA-N
XLogP2.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87098831
N,2-dimethyl-N-tetracosylprop-2-enamide
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N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide
CID 140828281
N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 174975704
2-methyl-N-pentylprop-2-enehydrazide
CID 87197020
N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide
CID 174766314
N-(3-butyl-3-trimethylsilylheptyl)-N,2-dimethylprop-2-enamide
CID 59819360
N-butyl-N-methyl-2-oxopropanamide;ethane
CID 142836775
N-butyl-N-methylacetamide;ethane
CID 142088805
N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620
N-butyl-N-methyl-3-oxobutanamide
CID 60934379

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide?
The IUPAC name of N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide (CID 87504496) is N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide.
What is the SMILES notation for N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide?
The canonical SMILES for N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide is C=C(C)C(=O)N(C)N(CCCC)CCCC.
What is the InChIKey of N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide?
The InChIKey is RRGICMXDFFBWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-8-10-15(11-9-7-2)14(5)13(16)12(3)4/h3,6-11H2,1-2,4-5H3.
What are the key properties of N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide?
N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide has a molecular weight of 226.36 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide is sourced from PubChem (CID 87504496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).