N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide

C14H25N3 — CID 142961170

IUPACN'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(C)=N/C(C)=N/C1CCCCCC1
InChIInChI=1S/C14H25N3/c1-11(2)15-12(3)16-13(4)17-14-9-7-5-6-8-10-14/h14H,1,5-10H2,2-4H3,(H,15,16,17)
InChIKeyMHJRNLARGNDODT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.67
Rot. Bonds2

About N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide

N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide (PubChem CID 142961170) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide
PubChem CID142961170
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(C)=N/C(C)=N/C1CCCCCC1
InChIInChI=1S/C14H25N3/c1-11(2)15-12(3)16-13(4)17-14-9-7-5-6-8-10-14/h14H,1,5-10H2,2-4H3,(H,15,16,17)
InChIKeyMHJRNLARGNDODT-UHFFFAOYSA-N
XLogP3.67
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.67
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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Related Compounds

N'-(N'-cyclooctylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide
CID 68335566
N'-(N'-cycloheptylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide
CID 68335650
N'-(N'-cyclododecylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide
CID 68335664
butane;N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide
CID 142961169
N'-(N'-hexylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide
CID 173489698
N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide
CID 142875838
N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide
CID 142876128

Frequently Asked Questions

What is the IUPAC name of N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide?
The IUPAC name of N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide (CID 142961170) is N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide?
The canonical SMILES for N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide is C=C(C)N/C(C)=N/C(C)=N/C1CCCCCC1.
What is the InChIKey of N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide?
The InChIKey is MHJRNLARGNDODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(2)15-12(3)16-13(4)17-14-9-7-5-6-8-10-14/h14H,1,5-10H2,2-4H3,(H,15,16,17).
What are the key properties of N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide?
N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide has a molecular weight of 235.37 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 142961170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).