N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide

C12H22N2 — CID 142876128

IUPACN'-cycloheptyl-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(C)=N/C1CCCCCC1
InChIInChI=1S/C12H22N2/c1-10(2)13-11(3)14-12-8-6-4-5-7-9-12/h12H,1,4-9H2,2-3H3,(H,13,14)
InChIKeyJFERRZRLPADFTO-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.25
Rot. Bonds2

About N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide

N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide (PubChem CID 142876128) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-prop-1-en-2-ylethanimidamide
PubChem CID142876128
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN'-cycloheptyl-N-prop-1-en-2-ylethanimidamide
SMILESC=C(C)N/C(C)=N/C1CCCCCC1
InChIInChI=1S/C12H22N2/c1-10(2)13-11(3)14-12-8-6-4-5-7-9-12/h12H,1,4-9H2,2-3H3,(H,13,14)
InChIKeyJFERRZRLPADFTO-UHFFFAOYSA-N
XLogP3.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.25
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'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide
CID 142961170

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide?
The IUPAC name of N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide (CID 142876128) is N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide?
The canonical SMILES for N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide is C=C(C)N/C(C)=N/C1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide?
The InChIKey is JFERRZRLPADFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)13-11(3)14-12-8-6-4-5-7-9-12/h12H,1,4-9H2,2-3H3,(H,13,14).
What are the key properties of N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide?
N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide has a molecular weight of 194.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 142876128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).