N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide

C7H17N3 — CID 91204574

IUPACN-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide
SMILESC/N=C/NC(C)C(C)(C)N
InChIInChI=1S/C7H17N3/c1-6(7(2,3)8)10-5-9-4/h5-6H,8H2,1-4H3,(H,9,10)
InChIKeySKQHIAGXNGBFEF-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.36
Rot. Bonds3

About N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide

N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide (PubChem CID 91204574) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide
PubChem CID91204574
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide
SMILESC/N=C/NC(C)C(C)(C)N
InChIInChI=1S/C7H17N3/c1-6(7(2,3)8)10-5-9-4/h5-6H,8H2,1-4H3,(H,9,10)
InChIKeySKQHIAGXNGBFEF-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
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'}

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Related Compounds

N-(3-amino-3-methylbutan-2-yl)formamide
CID 57072846
N-(1-iodoethyl)-N'-methylmethanimidamide
CID 163628896
N'-methyl-N-pentan-3-ylmethanimidamide
CID 146960213
N-[4-[ethyl(methyl)amino]butan-2-yl]-N'-methylmethanimidamide
CID 139506562
N-[1-(dimethylamino)-2-(methylamino)ethyl]-N'-methylmethanimidamide
CID 142202873
2-methyl-3-N-phenylbutane-2,3-diamine
CID 68860304
N-(aminomethyl)-N'-methylmethanimidamide
CID 123185735
3-amino-1-(3,3-dimethylbutan-2-yl)-1,2-dimethylguanidine
CID 104882062
N'-methyl-N-(methylamino)methanimidamide
CID 91075013
N-(2-amino-2-methylpropylidene)hydroxylamine
CID 5151005
potassium;N,N'-dimethylmethanimidamide;hydride
CID 173129967
N-(1-aminoethenyl)-N'-methylmethanimidamide
CID 144748232

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide?
The IUPAC name of N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide (CID 91204574) is N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide.
What is the SMILES notation for N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide?
The canonical SMILES for N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide is C/N=C/NC(C)C(C)(C)N.
What is the InChIKey of N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide?
The InChIKey is SKQHIAGXNGBFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-6(7(2,3)8)10-5-9-4/h5-6H,8H2,1-4H3,(H,9,10).
What are the key properties of N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide?
N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide has a molecular weight of 143.23 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-methylbutan-2-yl)-N'-methylmethanimidamide is sourced from PubChem (CID 91204574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).