N-amino-N'-tert-butylpropanimidamide

C7H17N3 — CID 61362723

IUPACN-amino-N'-tert-butylpropanimidamide
SMILESCC/C(=N\C(C)(C)C)NN
InChIInChI=1S/C7H17N3/c1-5-6(10-8)9-7(2,3)4/h5,8H2,1-4H3,(H,9,10)
InChIKeyLKMVZCPMHXJYCW-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.06
Rot. Bonds1

About N-amino-N'-tert-butylpropanimidamide

N-amino-N'-tert-butylpropanimidamide (PubChem CID 61362723) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is N-amino-N'-tert-butylpropanimidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butylpropanimidamide
PubChem CID61362723
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC NameN-amino-N'-tert-butylpropanimidamide
SMILESCC/C(=N\C(C)(C)C)NN
InChIInChI=1S/C7H17N3/c1-5-6(10-8)9-7(2,3)4/h5,8H2,1-4H3,(H,9,10)
InChIKeyLKMVZCPMHXJYCW-UHFFFAOYSA-N
XLogP1.06
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-tert-butyl-3,3-dimethylbutanimidamide
CID 61361306
N-amino-N'-tert-butylpentanimidamide
CID 61362720
N-amino-N'-tert-butyl-3-cyclopentylpropanimidamide
CID 61361099
N-amino-N'-methylpropanimidamide;hydrochloride
CID 161226126
1-amino-2-tert-butylguanidine
CID 13451339
N-amino-N'-tert-butyl-3-(4-methoxyphenyl)propanimidamide
CID 61362907
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
N-amino-N'-tert-butylcycloheptanecarboximidamide
CID 62590760
N'-tert-butyl-2-(ethylamino)ethanimidamide
CID 89014107
N-tert-butyl-2-methylpentan-3-imine
CID 12705448
N'-ethyl-N-hydrazinylpropanimidamide
CID 129166827
N-amino-N'-tert-butylnaphthalene-1-carboximidamide
CID 61362122

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-tert-butylpropanimidamide?
The IUPAC name of N-amino-N'-tert-butylpropanimidamide (CID 61362723) is N-amino-N'-tert-butylpropanimidamide.
What is the SMILES notation for N-amino-N'-tert-butylpropanimidamide?
The canonical SMILES for N-amino-N'-tert-butylpropanimidamide is CC/C(=N\C(C)(C)C)NN.
What is the InChIKey of N-amino-N'-tert-butylpropanimidamide?
The InChIKey is LKMVZCPMHXJYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-5-6(10-8)9-7(2,3)4/h5,8H2,1-4H3,(H,9,10).
What are the key properties of N-amino-N'-tert-butylpropanimidamide?
N-amino-N'-tert-butylpropanimidamide has a molecular weight of 143.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butylpropanimidamide is sourced from PubChem (CID 61362723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).