N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide

C10H20N2 — CID 63176137

IUPACN-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide
SMILES[H]/N=C(/N(CC)C1CC1)C(C)(C)C
InChIInChI=1S/C10H20N2/c1-5-12(8-6-7-8)9(11)10(2,3)4/h8,11H,5-7H2,1-4H3/b11-9+
InChIKeyPUMQJHARHJRCRI-PKNBQFBNSA-N
MW168.28 g/mol
LogP2.49
Rot. Bonds2

About N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide

N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide (PubChem CID 63176137) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide
PubChem CID63176137
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide
SMILES[H]/N=C(/N(CC)C1CC1)C(C)(C)C
InChIInChI=1S/C10H20N2/c1-5-12(8-6-7-8)9(11)10(2,3)4/h8,11H,5-7H2,1-4H3/b11-9+
InChIKeyPUMQJHARHJRCRI-PKNBQFBNSA-N
XLogP2.49
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide (CID 63176137) is N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide is [H]/N=C(/N(CC)C1CC1)C(C)(C)C.
What is the InChIKey of N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide?
The InChIKey is PUMQJHARHJRCRI-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-12(8-6-7-8)9(11)10(2,3)4/h8,11H,5-7H2,1-4H3/b11-9+.
What are the key properties of N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide?
N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2,2-dimethylpropanimidamide is sourced from PubChem (CID 63176137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).