N',5,5-trimethylhexanimidamide

C9H20N2 — CID 59463982

IUPACN',5,5-trimethylhexanimidamide
SMILESC/N=C(\N)CCCC(C)(C)C
InChIInChI=1S/C9H20N2/c1-9(2,3)7-5-6-8(10)11-4/h5-7H2,1-4H3,(H2,10,11)
InChIKeyVPDDEZNHSPWSJU-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.19
Rot. Bonds3

About N',5,5-trimethylhexanimidamide

N',5,5-trimethylhexanimidamide (PubChem CID 59463982) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N',5,5-trimethylhexanimidamide.

Molecular Properties

Compound NameN',5,5-trimethylhexanimidamide
PubChem CID59463982
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN',5,5-trimethylhexanimidamide
SMILESC/N=C(\N)CCCC(C)(C)C
InChIInChI=1S/C9H20N2/c1-9(2,3)7-5-6-8(10)11-4/h5-7H2,1-4H3,(H2,10,11)
InChIKeyVPDDEZNHSPWSJU-UHFFFAOYSA-N
XLogP2.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.19
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

5,5-dimethylhexanamide;2-methylpropane
CID 161490551
1-N',18-N,18-N,18-N'-tetramethyloctadecanediimidamide
CID 87184350
4-amino-4-methyliminobutanamide
CID 87596187
4,4-dimethylpentan-1-amine
CID 14454757
3,3-dimethylbutyl N'-methylcarbamimidothioate
CID 131224401
N-(4,4-dimethylpentyl)-N'-methylethanimidamide
CID 59630968
4,4-dimethylpentanethioamide
CID 61481159
(Z)-1-hydroxy-2,7,7-trimethyloct-1-en-3-one
CID 23264745
8,8-dimethylnonan-4-one
CID 61481441
N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride
CID 90668660
molecular hydrogen;2,2,6,6-tetramethylheptane
CID 169194475
barium(2+);hydride;2,2,6,6-tetramethylheptane
CID 173027218

Frequently Asked Questions

What is the IUPAC name of N',5,5-trimethylhexanimidamide?
The IUPAC name of N',5,5-trimethylhexanimidamide (CID 59463982) is N',5,5-trimethylhexanimidamide.
What is the SMILES notation for N',5,5-trimethylhexanimidamide?
The canonical SMILES for N',5,5-trimethylhexanimidamide is C/N=C(\N)CCCC(C)(C)C.
What is the InChIKey of N',5,5-trimethylhexanimidamide?
The InChIKey is VPDDEZNHSPWSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-9(2,3)7-5-6-8(10)11-4/h5-7H2,1-4H3,(H2,10,11).
What are the key properties of N',5,5-trimethylhexanimidamide?
N',5,5-trimethylhexanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',5,5-trimethylhexanimidamide is sourced from PubChem (CID 59463982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).