N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide

C15H22N2 — CID 91142648

IUPACN'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide
SMILESCC=C(/N=C(/N)CCCC)C1=CC=CCC=C1
InChIInChI=1S/C15H22N2/c1-3-5-12-15(16)17-14(4-2)13-10-8-6-7-9-11-13/h4,6,8-11H,3,5,7,12H2,1-2H3,(H2,16,17)
InChIKeyWIAABNLSPCTJJH-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.88
Rot. Bonds5

About N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide

N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide (PubChem CID 91142648) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide.

Molecular Properties

Compound NameN'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide
PubChem CID91142648
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide
SMILESCC=C(/N=C(/N)CCCC)C1=CC=CCC=C1
InChIInChI=1S/C15H22N2/c1-3-5-12-15(16)17-14(4-2)13-10-8-6-7-9-11-13/h4,6,8-11H,3,5,7,12H2,1-2H3,(H2,16,17)
InChIKeyWIAABNLSPCTJJH-UHFFFAOYSA-N
XLogP3.88
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.88
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

cyclohepta-1,3,6-triene-1-carboxamide;ethane
CID 143923802
cyclohepta-1,3,6-triene-1-carboxamide
CID 53421645
1-cyclohepta-1,3,6-trien-1-ylpropan-1-one
CID 123139786
N-[(Z)-2-ethyliminopent-3-enyl]cyclohepta-1,3,6-triene-1-carboxamide
CID 170724336
4-[(Z,2E)-1-cyclohepta-1,3,6-trien-1-yl-2-ethylidenehex-3-enylidene]piperidine
CID 142235558
N'-[amino(methyl)amino]pentanimidamide
CID 144800598
cyclohepta-1,3,6-triene-1-carbaldehyde;methoxymethane;propan-1-amine
CID 145370697
N'-[N'-(4-chlorophenyl)carbamimidoyl]pentanimidamide
CID 21300079
3-methylhept-2-en-2-amine
CID 87258436
5-nonan-5-ylidenecyclopenta-1,3-diene;propane;prop-1-ene
CID 143525148
N'-aminononanimidamide
CID 4100069
(Z)-2-(ethylideneamino)hex-1-en-1-amine
CID 90227550

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide?
The IUPAC name of N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide (CID 91142648) is N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide.
What is the SMILES notation for N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide?
The canonical SMILES for N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide is CC=C(/N=C(/N)CCCC)C1=CC=CCC=C1.
What is the InChIKey of N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide?
The InChIKey is WIAABNLSPCTJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-5-12-15(16)17-14(4-2)13-10-8-6-7-9-11-13/h4,6,8-11H,3,5,7,12H2,1-2H3,(H2,16,17).
What are the key properties of N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide?
N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide has a molecular weight of 230.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide is sourced from PubChem (CID 91142648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).