N-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide

C11H22N2 — CID 107402360

IUPACN-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide
SMILES[H]/N=C(\C(C)C)N(CC)CC1CCC1
InChIInChI=1S/C11H22N2/c1-4-13(11(12)9(2)3)8-10-6-5-7-10/h9-10,12H,4-8H2,1-3H3/b12-11+
InChIKeyBLRWZRYFVYPZOA-VAWYXSNFSA-N
MW182.31 g/mol
LogP2.74
Rot. Bonds4

About N-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide

N-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide (PubChem CID 107402360) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide
PubChem CID107402360
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide
SMILES[H]/N=C(\C(C)C)N(CC)CC1CCC1
InChIInChI=1S/C11H22N2/c1-4-13(11(12)9(2)3)8-10-6-5-7-10/h9-10,12H,4-8H2,1-3H3/b12-11+
InChIKeyBLRWZRYFVYPZOA-VAWYXSNFSA-N
XLogP2.74
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.74
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-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide (CID 107402360) is N-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide is [H]/N=C(\C(C)C)N(CC)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide?
The InChIKey is BLRWZRYFVYPZOA-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-13(11(12)9(2)3)8-10-6-5-7-10/h9-10,12H,4-8H2,1-3H3/b12-11+.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide?
N-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide has a molecular weight of 182.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-2-methylpropanimidamide is sourced from PubChem (CID 107402360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).