N'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide

C10H20N2 — CID 131140842

IUPACN'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide
SMILESCCC1(/N=C(\N)C(C)(C)C)CC1
InChIInChI=1S/C10H20N2/c1-5-10(6-7-10)12-8(11)9(2,3)4/h5-7H2,1-4H3,(H2,11,12)
InChIKeyWZXKEQDZYKCFNP-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.33
Rot. Bonds2

About N'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide

N'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide (PubChem CID 131140842) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide
PubChem CID131140842
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide
SMILESCCC1(/N=C(\N)C(C)(C)C)CC1
InChIInChI=1S/C10H20N2/c1-5-10(6-7-10)12-8(11)9(2,3)4/h5-7H2,1-4H3,(H2,11,12)
InChIKeyWZXKEQDZYKCFNP-UHFFFAOYSA-N
XLogP2.33
TPSA38.38 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 ≤ 52.33
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'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide?
The IUPAC name of N'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide (CID 131140842) is N'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide is CCC1(/N=C(\N)C(C)(C)C)CC1.
What is the InChIKey of N'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide?
The InChIKey is WZXKEQDZYKCFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-10(6-7-10)12-8(11)9(2,3)4/h5-7H2,1-4H3,(H2,11,12).
What are the key properties of N'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide?
N'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethylcyclopropyl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 131140842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).