N-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide

C11H18N2 — CID 123357613

IUPACN-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide
SMILESC=C/N=C/N=C/C(=C)CC(C)(C)C
InChIInChI=1S/C11H18N2/c1-6-12-9-13-8-10(2)7-11(3,4)5/h6,8-9H,1-2,7H2,3-5H3/b12-9+,13-8+
InChIKeyFBLFHWLEZSCTAY-GHEQENTPSA-N
MW178.28 g/mol
LogP3.22
Rot. Bonds4

About N-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide

N-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide (PubChem CID 123357613) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide
PubChem CID123357613
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide
SMILESC=C/N=C/N=C/C(=C)CC(C)(C)C
InChIInChI=1S/C11H18N2/c1-6-12-9-13-8-10(2)7-11(3,4)5/h6,8-9H,1-2,7H2,3-5H3/b12-9+,13-8+
InChIKeyFBLFHWLEZSCTAY-GHEQENTPSA-N
XLogP3.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.22
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-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide?
The IUPAC name of N-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide (CID 123357613) is N-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide.
What is the SMILES notation for N-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide?
The canonical SMILES for N-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide is C=C/N=C/N=C/C(=C)CC(C)(C)C.
What is the InChIKey of N-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide?
The InChIKey is FBLFHWLEZSCTAY-GHEQENTPSA-N. The full InChI is InChI=1S/C11H18N2/c1-6-12-9-13-8-10(2)7-11(3,4)5/h6,8-9H,1-2,7H2,3-5H3/b12-9+,13-8+.
What are the key properties of N-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide?
N-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide has a molecular weight of 178.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2-methylidenepentylidene)-N'-ethenylmethanimidamide is sourced from PubChem (CID 123357613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).