N'-(8-cyanonon-3-en-2-yl)propanimidamide

C13H23N3 — CID 90732916

IUPACN'-(8-cyanonon-3-en-2-yl)propanimidamide
SMILESCC/C(N)=N\C(C)C=CCCCC(C)C#N
InChIInChI=1S/C13H23N3/c1-4-13(15)16-12(3)9-7-5-6-8-11(2)10-14/h7,9,11-12H,4-6,8H2,1-3H3,(H2,15,16)
InChIKeyCAXZVZZFTIHNSI-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.03
Rot. Bonds7

About N'-(8-cyanonon-3-en-2-yl)propanimidamide

N'-(8-cyanonon-3-en-2-yl)propanimidamide (PubChem CID 90732916) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N'-(8-cyanonon-3-en-2-yl)propanimidamide.

Molecular Properties

Compound NameN'-(8-cyanonon-3-en-2-yl)propanimidamide
PubChem CID90732916
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN'-(8-cyanonon-3-en-2-yl)propanimidamide
SMILESCC/C(N)=N\C(C)C=CCCCC(C)C#N
InChIInChI=1S/C13H23N3/c1-4-13(15)16-12(3)9-7-5-6-8-11(2)10-14/h7,9,11-12H,4-6,8H2,1-3H3,(H2,15,16)
InChIKeyCAXZVZZFTIHNSI-UHFFFAOYSA-N
XLogP3.03
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(8-cyanonon-3-en-2-yl)propanimidamide?
The IUPAC name of N'-(8-cyanonon-3-en-2-yl)propanimidamide (CID 90732916) is N'-(8-cyanonon-3-en-2-yl)propanimidamide.
What is the SMILES notation for N'-(8-cyanonon-3-en-2-yl)propanimidamide?
The canonical SMILES for N'-(8-cyanonon-3-en-2-yl)propanimidamide is CC/C(N)=N\C(C)C=CCCCC(C)C#N.
What is the InChIKey of N'-(8-cyanonon-3-en-2-yl)propanimidamide?
The InChIKey is CAXZVZZFTIHNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-13(15)16-12(3)9-7-5-6-8-11(2)10-14/h7,9,11-12H,4-6,8H2,1-3H3,(H2,15,16).
What are the key properties of N'-(8-cyanonon-3-en-2-yl)propanimidamide?
N'-(8-cyanonon-3-en-2-yl)propanimidamide has a molecular weight of 221.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(8-cyanonon-3-en-2-yl)propanimidamide is sourced from PubChem (CID 90732916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).