N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide

C15H28N4 — CID 142875838

IUPACN'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide
SMILESC/C=C(\CC)N/C(C)=N\C(N)=N\C1CCCCCC1
InChIInChI=1S/C15H28N4/c1-4-13(5-2)17-12(3)18-15(16)19-14-10-8-6-7-9-11-14/h4,14H,5-11H2,1-3H3,(H3,16,17,18,19)/b13-4+
InChIKeyQJTATWCIFDNSIZ-YIXHJXPBSA-N
MW264.42 g/mol
LogP3.35
Rot. Bonds3

About N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide

N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide (PubChem CID 142875838) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide.

Molecular Properties

Compound NameN'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide
PubChem CID142875838
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide
SMILESC/C=C(\CC)N/C(C)=N\C(N)=N\C1CCCCCC1
InChIInChI=1S/C15H28N4/c1-4-13(5-2)17-12(3)18-15(16)19-14-10-8-6-7-9-11-14/h4,14H,5-11H2,1-3H3,(H3,16,17,18,19)/b13-4+
InChIKeyQJTATWCIFDNSIZ-YIXHJXPBSA-N
XLogP3.35
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
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'-cycloheptylcarbamimidoyl)-N-prop-1-en-2-ylethanimidamide
CID 68335650
N-dodecyl-5-methyl-1,3-dihydropyrrol-2-imine
CID 154121257
N'-methyl-N-[(6E)-6-methylnona-1,6-dien-2-yl]ethanimidamide
CID 156544655
N'-cycloheptyl-N-prop-1-en-2-ylethanimidamide
CID 142876128
N'-(N-cycloheptyl-C-methylcarbonimidoyl)-N-prop-1-en-2-ylethanimidamide
CID 142961170

Frequently Asked Questions

What is the IUPAC name of N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide?
The IUPAC name of N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide (CID 142875838) is N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide.
What is the SMILES notation for N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide?
The canonical SMILES for N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide is C/C=C(\CC)N/C(C)=N\C(N)=N\C1CCCCCC1.
What is the InChIKey of N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide?
The InChIKey is QJTATWCIFDNSIZ-YIXHJXPBSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-13(5-2)17-12(3)18-15(16)19-14-10-8-6-7-9-11-14/h4,14H,5-11H2,1-3H3,(H3,16,17,18,19)/b13-4+.
What are the key properties of N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide?
N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide has a molecular weight of 264.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-cycloheptylcarbamimidoyl)-N-[(E)-pent-2-en-3-yl]ethanimidamide is sourced from PubChem (CID 142875838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).