2-ethyl-N,N,2,4,5-pentamethylhexanimidamide

C13H28N2 — CID 123958518

IUPAC2-ethyl-N,N,2,4,5-pentamethylhexanimidamide
SMILES[H]/N=C(\N(C)C)C(C)(CC)CC(C)C(C)C
InChIInChI=1S/C13H28N2/c1-8-13(5,12(14)15(6)7)9-11(4)10(2)3/h10-11,14H,8-9H2,1-7H3/b14-12-
InChIKeyDCASPMDRVUBJPG-OWBHPGMISA-N
MW212.38 g/mol
LogP3.62
Rot. Bonds5

About 2-ethyl-N,N,2,4,5-pentamethylhexanimidamide

2-ethyl-N,N,2,4,5-pentamethylhexanimidamide (PubChem CID 123958518) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-ethyl-N,N,2,4,5-pentamethylhexanimidamide.

Molecular Properties

Compound Name2-ethyl-N,N,2,4,5-pentamethylhexanimidamide
PubChem CID123958518
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-ethyl-N,N,2,4,5-pentamethylhexanimidamide
SMILES[H]/N=C(\N(C)C)C(C)(CC)CC(C)C(C)C
InChIInChI=1S/C13H28N2/c1-8-13(5,12(14)15(6)7)9-11(4)10(2)3/h10-11,14H,8-9H2,1-7H3/b14-12-
InChIKeyDCASPMDRVUBJPG-OWBHPGMISA-N
XLogP3.62
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.62
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,2,2-trimethyl-N-pentan-3-ylpropanimidamide
CID 63175548
2-iodo-N,N,2-trimethylpropanimidamide
CID 129106439
N-(2-hydroxyethyl)-N,2,2-trimethylpropanimidamide
CID 161343913
5-ethyl-2,3,5,6,6-pentamethyloctane
CID 123388643
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanimidamide
CID 63177457
2-[[1-(diethylamino)-1-imino-2-methylpropan-2-yl]diazenyl]-N,N-diethyl-2-methylpropanimidamide;dihydrochloride
CID 88682849
N-[3-(dimethylamino)propyl]-N,2,2-trimethylpropanimidamide
CID 63726393
N,N-dibutyl-2,2-dimethylpropanimidamide
CID 63175509
3,5,6,7-tetramethyloctan-3-ol
CID 91548783
(3R)-5,5-difluoro-2,3-dimethylheptane
CID 118133528
N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide
CID 63176137
2,3,5,5,6,7-hexamethylnonane
CID 91311352

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N,2,4,5-pentamethylhexanimidamide?
The IUPAC name of 2-ethyl-N,N,2,4,5-pentamethylhexanimidamide (CID 123958518) is 2-ethyl-N,N,2,4,5-pentamethylhexanimidamide.
What is the SMILES notation for 2-ethyl-N,N,2,4,5-pentamethylhexanimidamide?
The canonical SMILES for 2-ethyl-N,N,2,4,5-pentamethylhexanimidamide is [H]/N=C(\N(C)C)C(C)(CC)CC(C)C(C)C.
What is the InChIKey of 2-ethyl-N,N,2,4,5-pentamethylhexanimidamide?
The InChIKey is DCASPMDRVUBJPG-OWBHPGMISA-N. The full InChI is InChI=1S/C13H28N2/c1-8-13(5,12(14)15(6)7)9-11(4)10(2)3/h10-11,14H,8-9H2,1-7H3/b14-12-.
What are the key properties of 2-ethyl-N,N,2,4,5-pentamethylhexanimidamide?
2-ethyl-N,N,2,4,5-pentamethylhexanimidamide has a molecular weight of 212.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N,2,4,5-pentamethylhexanimidamide is sourced from PubChem (CID 123958518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).