N,N'-dimethyl-N-propan-2-ylethanimidamide

C7H16N2 — CID 18735005

IUPACN,N'-dimethyl-N-propan-2-ylethanimidamide
SMILESC/N=C(\C)N(C)C(C)C
InChIInChI=1S/C7H16N2/c1-6(2)9(5)7(3)8-4/h6H,1-5H3/b8-7+
InChIKeyYRZJRZXSUBCKMG-BQYQJAHWSA-N
MW128.22 g/mol
LogP1.37
Rot. Bonds1

About N,N'-dimethyl-N-propan-2-ylethanimidamide

N,N'-dimethyl-N-propan-2-ylethanimidamide (PubChem CID 18735005) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N,N'-dimethyl-N-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-propan-2-ylethanimidamide
PubChem CID18735005
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN,N'-dimethyl-N-propan-2-ylethanimidamide
SMILESC/N=C(\C)N(C)C(C)C
InChIInChI=1S/C7H16N2/c1-6(2)9(5)7(3)8-4/h6H,1-5H3/b8-7+
InChIKeyYRZJRZXSUBCKMG-BQYQJAHWSA-N
XLogP1.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.37
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,N'-tri(propan-2-yl)methanimidamide
CID 12175794
1,4,5,6-Tetrahydro-1,2,4-trimethylpyrimidine
CID 40795
N,N'-di(propan-2-yl)-N-(trifluoromethyl)ethanimidamide
CID 170030001
N'-Isopropyl-N,N-dimethyl-acetamidine
CID 525282
N'-Propyl-N,N-dimethyl-acetamidine
CID 525285
N,N-Diethyl-N'-propylacetamidine
CID 519058
N-(2,2-difluoroethyl)-N'-methyl-N-propan-2-ylethanimidamide
CID 162596990
(CH3)2N-C(C2H5)=N(i-C3H7)
CID 6431936
[Di(propan-2-yl)amino]methylidene-di(propan-2-yl)azanium
CID 11057444
1,2,4-Trimethylimidazoline
CID 11182592
1,2,3,4-Tetramethyl-4,5-dihydroimidazol-1-ium
CID 11458345
2-methyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
CID 12860757

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-propan-2-ylethanimidamide?
The IUPAC name of N,N'-dimethyl-N-propan-2-ylethanimidamide (CID 18735005) is N,N'-dimethyl-N-propan-2-ylethanimidamide.
What is the SMILES notation for N,N'-dimethyl-N-propan-2-ylethanimidamide?
The canonical SMILES for N,N'-dimethyl-N-propan-2-ylethanimidamide is C/N=C(\C)N(C)C(C)C.
What is the InChIKey of N,N'-dimethyl-N-propan-2-ylethanimidamide?
The InChIKey is YRZJRZXSUBCKMG-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(2)9(5)7(3)8-4/h6H,1-5H3/b8-7+.
What are the key properties of N,N'-dimethyl-N-propan-2-ylethanimidamide?
N,N'-dimethyl-N-propan-2-ylethanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-propan-2-ylethanimidamide is sourced from PubChem (CID 18735005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).