N,N-dibutylbutanimidamide

C12H26N2 — CID 63175446

IUPACN,N-dibutylbutanimidamide
SMILES[H]/N=C(\CCC)N(CCCC)CCCC
InChIInChI=1S/C12H26N2/c1-4-7-10-14(11-8-5-2)12(13)9-6-3/h13H,4-11H2,1-3H3/b13-12+
InChIKeyHEYAOVHWEJIXSL-OUKQBFOZSA-N
MW198.35 g/mol
LogP3.67
Rot. Bonds8

About N,N-dibutylbutanimidamide

N,N-dibutylbutanimidamide (PubChem CID 63175446) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N,N-dibutylbutanimidamide.

Molecular Properties

Compound NameN,N-dibutylbutanimidamide
PubChem CID63175446
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN,N-dibutylbutanimidamide
SMILES[H]/N=C(\CCC)N(CCCC)CCCC
InChIInChI=1S/C12H26N2/c1-4-7-10-14(11-8-5-2)12(13)9-6-3/h13H,4-11H2,1-3H3/b13-12+
InChIKeyHEYAOVHWEJIXSL-OUKQBFOZSA-N
XLogP3.67
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-dibutylbutanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-ethylhexanimidamide;propane
CID 155716636
N-butyl-N-cyclopropylbutanimidamide
CID 63176623
N,N-bis(2-ethoxyethyl)butanimidamide
CID 82959932
N,N-dibutyl-2,2-dimethylpropanimidamide
CID 63175509
1-butyl-3,3-diethyl-1-methylguanidine;1-butyl-1,3,3-triethylguanidine
CID 175371086
CID 22121637
CID 22121637
N-butan-2-yl-N-butylpropanimidamide
CID 63177436
1-dodecyl-1-pentylguanidine
CID 88762865
N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide
CID 63177323
1,1-didodecylguanidine
CID 23103902
3-[butyl(methyl)amino]propanimidamide
CID 24696065
N-methyl-N-(2-methylbutan-2-yl)butanimidamide
CID 63962326

Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutanimidamide?
The IUPAC name of N,N-dibutylbutanimidamide (CID 63175446) is N,N-dibutylbutanimidamide.
What is the SMILES notation for N,N-dibutylbutanimidamide?
The canonical SMILES for N,N-dibutylbutanimidamide is [H]/N=C(\CCC)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutylbutanimidamide?
The InChIKey is HEYAOVHWEJIXSL-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-7-10-14(11-8-5-2)12(13)9-6-3/h13H,4-11H2,1-3H3/b13-12+.
What are the key properties of N,N-dibutylbutanimidamide?
N,N-dibutylbutanimidamide has a molecular weight of 198.35 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutanimidamide is sourced from PubChem (CID 63175446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).