N,N-dibutyl-2,2-dimethylpropanimidamide

C13H28N2 — CID 63175509

IUPACN,N-dibutyl-2,2-dimethylpropanimidamide
SMILES[H]/N=C(\N(CCCC)CCCC)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-6-8-10-15(11-9-7-2)12(14)13(3,4)5/h14H,6-11H2,1-5H3/b14-12-
InChIKeyVVPCSKKYTSXIPR-OWBHPGMISA-N
MW212.38 g/mol
LogP3.91
Rot. Bonds6

About N,N-dibutyl-2,2-dimethylpropanimidamide

N,N-dibutyl-2,2-dimethylpropanimidamide (PubChem CID 63175509) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,N-dibutyl-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN,N-dibutyl-2,2-dimethylpropanimidamide
PubChem CID63175509
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,N-dibutyl-2,2-dimethylpropanimidamide
SMILES[H]/N=C(\N(CCCC)CCCC)C(C)(C)C
InChIInChI=1S/C13H28N2/c1-6-8-10-15(11-9-7-2)12(14)13(3,4)5/h14H,6-11H2,1-5H3/b14-12-
InChIKeyVVPCSKKYTSXIPR-OWBHPGMISA-N
XLogP3.91
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.91
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'}

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Related Compounds

N,N-dibutylbutanimidamide
CID 63175446
N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide
CID 63726393
N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide
CID 63176137
1-butyl-3,3-diethyl-1-methylguanidine;1-butyl-1,3,3-triethylguanidine
CID 175371086
CID 22121637
CID 22121637
N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide
CID 161343913
2,2-dimethyl-N,N-di(nonyl)propanamide
CID 532840
N-butyl-N-ethylhexanimidamide;propane
CID 155716636
N,2,2-trimethyl-N-pentan-3-ylpropanimidamide
CID 63175548
1,1-didodecylguanidine
CID 23103902
2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride
CID 88682849
1-dodecyl-1-pentylguanidine
CID 88762865

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2,2-dimethylpropanimidamide?
The IUPAC name of N,N-dibutyl-2,2-dimethylpropanimidamide (CID 63175509) is N,N-dibutyl-2,2-dimethylpropanimidamide.
What is the SMILES notation for N,N-dibutyl-2,2-dimethylpropanimidamide?
The canonical SMILES for N,N-dibutyl-2,2-dimethylpropanimidamide is [H]/N=C(\N(CCCC)CCCC)C(C)(C)C.
What is the InChIKey of N,N-dibutyl-2,2-dimethylpropanimidamide?
The InChIKey is VVPCSKKYTSXIPR-OWBHPGMISA-N. The full InChI is InChI=1S/C13H28N2/c1-6-8-10-15(11-9-7-2)12(14)13(3,4)5/h14H,6-11H2,1-5H3/b14-12-.
What are the key properties of N,N-dibutyl-2,2-dimethylpropanimidamide?
N,N-dibutyl-2,2-dimethylpropanimidamide has a molecular weight of 212.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2,2-dimethylpropanimidamide is sourced from PubChem (CID 63175509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).