N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide

C10H21N3 — CID 83148345

IUPACN-amino-N'-tert-butyl-2-cyclopropylpropanimidamide
SMILESCC(/C(=N/C(C)(C)C)NN)C1CC1
InChIInChI=1S/C10H21N3/c1-7(8-5-6-8)9(13-11)12-10(2,3)4/h7-8H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyRHGZCJBAZQFSJY-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.69
Rot. Bonds2

About N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide

N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide (PubChem CID 83148345) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyl-2-cyclopropylpropanimidamide
PubChem CID83148345
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-amino-N'-tert-butyl-2-cyclopropylpropanimidamide
SMILESCC(/C(=N/C(C)(C)C)NN)C1CC1
InChIInChI=1S/C10H21N3/c1-7(8-5-6-8)9(13-11)12-10(2,3)4/h7-8H,5-6,11H2,1-4H3,(H,12,13)
InChIKeyRHGZCJBAZQFSJY-UHFFFAOYSA-N
XLogP1.69
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.69
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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide?
The IUPAC name of N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide (CID 83148345) is N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide.
What is the SMILES notation for N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide?
The canonical SMILES for N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide is CC(/C(=N/C(C)(C)C)NN)C1CC1.
What is the InChIKey of N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide?
The InChIKey is RHGZCJBAZQFSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-7(8-5-6-8)9(13-11)12-10(2,3)4/h7-8H,5-6,11H2,1-4H3,(H,12,13).
What are the key properties of N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide?
N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide is sourced from PubChem (CID 83148345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).