(2S)-N',3-dimethyl-2-(methylamino)butanimidamide

C7H17N3 — CID 134570586

IUPAC(2S)-N',3-dimethyl-2-(methylamino)butanimidamide
SMILESC/N=C(\N)[C@@H](NC)C(C)C
InChIInChI=1S/C7H17N3/c1-5(2)6(9-3)7(8)10-4/h5-6,9H,1-4H3,(H2,8,10)/t6-/m0/s1
InChIKeyDLMUZCFJCUZHGN-LURJTMIESA-N
MW143.23 g/mol
LogP0.22
Rot. Bonds3

About (2S)-N',3-dimethyl-2-(methylamino)butanimidamide

(2S)-N',3-dimethyl-2-(methylamino)butanimidamide (PubChem CID 134570586) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S)-N',3-dimethyl-2-(methylamino)butanimidamide.

Molecular Properties

Compound Name(2S)-N',3-dimethyl-2-(methylamino)butanimidamide
PubChem CID134570586
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name(2S)-N',3-dimethyl-2-(methylamino)butanimidamide
SMILESC/N=C(\N)[C@@H](NC)C(C)C
InChIInChI=1S/C7H17N3/c1-5(2)6(9-3)7(8)10-4/h5-6,9H,1-4H3,(H2,8,10)/t6-/m0/s1
InChIKeyDLMUZCFJCUZHGN-LURJTMIESA-N
XLogP0.22
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2S)-N',3-dimethyl-2-(methylamino)butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5-N,2,6-trimethylhept-3-ene-3,4,5-triamine
CID 154560398
(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride
CID 87874249
(2R)-N'-anilino-3-methyl-2-(methylamino)butanimidamide
CID 90782282
(2R)-2-methoxy-N'-methylpropanimidamide
CID 124512055
(2S)-3-methyl-2-(methylamino)butanoic acid
CID 161459292
3-methyl-2-(methylamino)butanoic acid
CID 4378
methane;4-methyl-3-(methylamino)pentan-2-one
CID 158029280
ethane;propan-2-yl (2S)-3-methyl-2-(methylamino)butanoate
CID 142287179
3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea
CID 79153319
tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
CID 131886716
N,4,6-trimethyl-2-methyliminohept-5-en-3-amine
CID 123794549
N'-methyl-3-(methylamino)-2-(methylaminomethylidene)butanimidamide
CID 163660233

Frequently Asked Questions

What is the IUPAC name of (2S)-N',3-dimethyl-2-(methylamino)butanimidamide?
The IUPAC name of (2S)-N',3-dimethyl-2-(methylamino)butanimidamide (CID 134570586) is (2S)-N',3-dimethyl-2-(methylamino)butanimidamide.
What is the SMILES notation for (2S)-N',3-dimethyl-2-(methylamino)butanimidamide?
The canonical SMILES for (2S)-N',3-dimethyl-2-(methylamino)butanimidamide is C/N=C(\N)[C@@H](NC)C(C)C.
What is the InChIKey of (2S)-N',3-dimethyl-2-(methylamino)butanimidamide?
The InChIKey is DLMUZCFJCUZHGN-LURJTMIESA-N. The full InChI is InChI=1S/C7H17N3/c1-5(2)6(9-3)7(8)10-4/h5-6,9H,1-4H3,(H2,8,10)/t6-/m0/s1.
What are the key properties of (2S)-N',3-dimethyl-2-(methylamino)butanimidamide?
(2S)-N',3-dimethyl-2-(methylamino)butanimidamide has a molecular weight of 143.23 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N',3-dimethyl-2-(methylamino)butanimidamide is sourced from PubChem (CID 134570586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).