N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide

C11H22N2 — CID 137495867

IUPACN,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
SMILESC=C(C(C)C)N(C)/C(=N/C)C(C)C
InChIInChI=1S/C11H22N2/c1-8(2)10(5)13(7)11(12-6)9(3)4/h8-9H,5H2,1-4,6-7H3/b12-11+
InChIKeyIUENKEMMGLLKHK-VAWYXSNFSA-N
MW182.31 g/mol
LogP2.77
Rot. Bonds3

About N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide

N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide (PubChem CID 137495867) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide.

Molecular Properties

Compound NameN,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
PubChem CID137495867
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide
SMILESC=C(C(C)C)N(C)/C(=N/C)C(C)C
InChIInChI=1S/C11H22N2/c1-8(2)10(5)13(7)11(12-6)9(3)4/h8-9H,5H2,1-4,6-7H3/b12-11+
InChIKeyIUENKEMMGLLKHK-VAWYXSNFSA-N
XLogP2.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
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,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide?
The IUPAC name of N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide (CID 137495867) is N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide.
What is the SMILES notation for N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide?
The canonical SMILES for N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide is C=C(C(C)C)N(C)/C(=N/C)C(C)C.
What is the InChIKey of N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide?
The InChIKey is IUENKEMMGLLKHK-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)10(5)13(7)11(12-6)9(3)4/h8-9H,5H2,1-4,6-7H3/b12-11+.
What are the key properties of N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide?
N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide has a molecular weight of 182.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethyl-N-(3-methylbut-1-en-2-yl)propanimidamide is sourced from PubChem (CID 137495867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).