N,N,N',2,2-pentamethylpropanimidamide

C8H18N2 — CID 21050662

IUPACN,N,N',2,2-pentamethylpropanimidamide
SMILESC/N=C(\N(C)C)C(C)(C)C
InChIInChI=1S/C8H18N2/c1-8(2,3)7(9-4)10(5)6/h1-6H3/b9-7-
InChIKeyJMMGVECVVJIENH-CLFYSBASSA-N
MW142.25 g/mol
LogP1.62
Rot. Bonds

About N,N,N',2,2-pentamethylpropanimidamide

N,N,N',2,2-pentamethylpropanimidamide (PubChem CID 21050662) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N,N,N',2,2-pentamethylpropanimidamide.

Molecular Properties

Compound NameN,N,N',2,2-pentamethylpropanimidamide
PubChem CID21050662
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN,N,N',2,2-pentamethylpropanimidamide
SMILESC/N=C(\N(C)C)C(C)(C)C
InChIInChI=1S/C8H18N2/c1-8(2,3)7(9-4)10(5)6/h1-6H3/b9-7-
InChIKeyJMMGVECVVJIENH-CLFYSBASSA-N
XLogP1.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
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-Dimethyl-N'-propyl-isobutyramidine
CID 525846
N,N-dimethyl-N'-propylpropanimidamide
CID 22211913
N,N-Dimethyl-N'-butyl-propionamidine
CID 525837
N,N-Dimethyl-N'-butyl-isobutyramidine
CID 525896
N,N-Dimethyl-N'-butyl-pivalamidine
CID 525897
N,N-Dimethyl-N'-hexyl-pivalamidine
CID 525905
N,N-Dimethyl-N'-pentyl-pivalamidine
CID 525911
N,N-Dimethyl-N'-propyl-pivalamidine
CID 525914
(CH3)2N-C(C2H5)=N(t-C4H9)
CID 6432124
1-(Dimethylamino)propylidene-dimethylazanium
CID 12574600
N,N,N',2-tetramethylpropanimidamide
CID 22088148
1-(Dimethylamino)butylidene-dimethylazanium
CID 23311444

Frequently Asked Questions

What is the IUPAC name of N,N,N',2,2-pentamethylpropanimidamide?
The IUPAC name of N,N,N',2,2-pentamethylpropanimidamide (CID 21050662) is N,N,N',2,2-pentamethylpropanimidamide.
What is the SMILES notation for N,N,N',2,2-pentamethylpropanimidamide?
The canonical SMILES for N,N,N',2,2-pentamethylpropanimidamide is C/N=C(\N(C)C)C(C)(C)C.
What is the InChIKey of N,N,N',2,2-pentamethylpropanimidamide?
The InChIKey is JMMGVECVVJIENH-CLFYSBASSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(2,3)7(9-4)10(5)6/h1-6H3/b9-7-.
What are the key properties of N,N,N',2,2-pentamethylpropanimidamide?
N,N,N',2,2-pentamethylpropanimidamide has a molecular weight of 142.25 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',2,2-pentamethylpropanimidamide is sourced from PubChem (CID 21050662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).